Five more phases of the structural family [M(H₂O)₂(15-crown-5)](NO₃)₂

The structures of five more phases of the structural family of compounds [M(H₂O)₂(15-crown-5)](NO₃)₂ have been determined. All of these phases are stable at room temperature or above, but transform to other phases if cooled slowly. All five phase transitions take place without significant damage to the single crystal. The M = Co phase, which has a three-dimensional hydrogen-bonding pattern, is a disordered version of the structure known at room temperature; Z′ changes from 2 to ½. The other four structures have a two-dimensional hydrogen-bonding pattern, are all modulated variants of the same basic cell (or subcell) and are at least mostly ordered. For M = Mg and Zn the structure found somewhat above room temperature is the Z′ = 8 variant found previously for M = Fe. For M = Cu and Ni the Z′ = 2 phase found is the same as seen previously for one of the room-temperature polymorphs with M = Mn. There are now two phases and one transition known for each M studied that has a two-dimensional hydrogen-bonding pattern. The changes in the modulation patterns during these transitions are Z′ 3 ↔ 8 (Mg, Fe, Zn), Z′ 3 ↔ 2 (Mn, Ni) and Z′ 5 ↔ 2 (Cu). In all two-dimensional hydrogen-bonded crystals the alternation pattern of conformational enantiomers along the modulation direction becomes more perfect above the phase transition. All stable [M(H₂O)₂(15-crown-5)](NO₃)₂ phases whose existence at accessible temperatures is indicated by differential scanning calorimetry (DSC) have now been characterized.

Computing details

Data collection: APEX2 (Bruker-Nonius, 2004) for FeZprime8, MgZprime8, ZnZprime8, CoZprime0.5; COLLECT (Nonius, 1999) for NiZprime2, CuZprime2. Cell refinement: Saintplus in APEX2 (Bruker-Nonius,2004) for FeZprime8, MgZprime8, ZnZprime8, CoZprime0.5; SCALEPACK (Otwinowski & Minor, 2006) for NiZprime2, CuZprime2. Data reduction: Saintplus in APEX2 (Bruker-Nonius,2004) for FeZprime8, MgZprime8, ZnZprime8, CoZprime0.5; DENZO-SMN (Otwinowski & Minor, 2006) for NiZprime2, CuZprime2. For all compounds, program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and local procedures.

(FeZprime8) 'diaqua(15-crown-5)iron(II) nitrate'

Crystal data

C10H24O7Fe^2+·2(NO3^−)	F(000) = 7296
Mr = 436.16	Dx = 1.652 Mg m^−3
Monoclinic, B21	Cu Kα radiation, λ = 1.54178 Å
a = 14.507 (2) Å	Cell parameters from 9152 reflections
b = 14.226 (2) Å	θ = 4.2–68.0°
c = 68.390 (6) Å	µ = 7.58 mm^−1
β = 96.23 (2)°	T = 90 K
V = 14031 (3) Å^3	Thick rods, colorless
Z = 32	0.30 × 0.15 × 0.11 mm

Data collection

Bruker-Nonius X8 Proteum diffractometer	25223 independent reflections
Radiation source: fine-focus rotating anode	15621 reflections with I > 2σ(I)
Graded multi-layer optics monochromator	Rint = 0.050
Detector resolution: 18 pixels mm^-1	θmax = 68.2°, θmin = 2.6°
ω and φ scans	h = −17→17
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004)	k = −17→17
Tmin = 0.20, Tmax = 0.47	l = −74→82
89101 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.043	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.125	w = 1/[σ^2(Fo^2) + (0.050P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.13	(Δ/σ)max = 0.002
25223 reflections	Δρmax = 0.77 e Å^−3
892 parameters	Δρmin = −0.43 e Å^−3
49 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000058 (3)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
O6_1	0.1775 (3)	0.6753 (3)	0.07905 (5)	0.02081 (16)
H1W_1	0.176 (3)	0.699 (2)	0.0680 (3)	0.025*
H2W_1	0.162 (3)	0.717 (2)	0.0863 (5)	0.025*
O7_1	0.3066 (3)	0.4320 (3)	0.10150 (5)	0.02090 (17)
H3W_1	0.320 (3)	0.3775 (12)	0.0993 (5)	0.025*
H4W_1	0.328 (3)	0.444 (3)	0.1127 (3)	0.025*
Fe1_1	0.24290 (6)	0.55447 (6)	0.089830 (10)	0.01219 (7)
O1_1	0.1220 (2)	0.5221 (3)	0.10650 (5)	0.01543 (15)
O2_1	0.1553 (2)	0.4489 (3)	0.07201 (5)	0.01650 (15)
O3_1	0.2973 (2)	0.5468 (3)	0.06064 (5)	0.01685 (16)
O4_1	0.3807 (2)	0.6248 (3)	0.09345 (5)	0.01722 (15)
O5_1	0.2623 (3)	0.6244 (3)	0.11836 (5)	0.02154 (16)
C1_1	0.0742 (4)	0.4377 (4)	0.09971 (8)	0.0203 (2)
H11_1	0.0129	0.4343	0.1048	0.024*
H12_1	0.1107	0.3815	0.1043	0.024*
C2_1	0.0627 (4)	0.4418 (5)	0.07754 (8)	0.0205 (2)
H21_1	0.0318	0.3843	0.0719	0.025*
H22_1	0.0253	0.4971	0.0728	0.025*
C3_1	0.1611 (4)	0.4583 (5)	0.05137 (7)	0.0178 (2)
H31_1	0.1275	0.5151	0.0462	0.021*
H32_1	0.1340	0.4026	0.0442	0.021*
C4_1	0.2636 (4)	0.4664 (4)	0.04914 (8)	0.0175 (2)
H41_1	0.2967	0.4088	0.0540	0.021*
H42_1	0.2731	0.4755	0.0351	0.021*
C5_1	0.3967 (3)	0.5574 (5)	0.06258 (7)	0.0210 (2)
H51_1	0.4187	0.5666	0.0495	0.025*
H52_1	0.4270	0.5007	0.0687	0.025*
C6_1	0.4184 (4)	0.6406 (4)	0.07512 (8)	0.0228 (2)
H61_1	0.4864	0.6496	0.0775	0.027*
H62_1	0.3906	0.6976	0.0686	0.027*
C7_1	0.3822 (4)	0.7053 (4)	0.10597 (8)	0.0207 (2)
H71_1	0.3435	0.7561	0.0995	0.025*
H72_1	0.4464	0.7289	0.1089	0.025*
C8_1	0.3444 (4)	0.6754 (4)	0.12461 (8)	0.0201 (2)
H81_1	0.3895	0.6351	0.1326	0.024*
H82_1	0.3302	0.7308	0.1325	0.024*
C9_1	0.1949 (4)	0.6142 (4)	0.13207 (8)	0.0167 (2)
H91_1	0.1495	0.6664	0.1306	0.020*
H92_1	0.2254	0.6145	0.1457	0.020*
C10_1	0.1472 (4)	0.5217 (4)	0.12746 (7)	0.0176 (2)
H101_1	0.1895	0.4687	0.1313	0.021*
H102_1	0.0914	0.5159	0.1345	0.021*
O6_2	0.3227 (3)	0.4301 (3)	0.23270 (5)	0.02081 (16)
H1W_2	0.339 (3)	0.388 (2)	0.2256 (5)	0.025*
H2W_2	0.347 (2)	0.418 (3)	0.2438 (2)	0.025*
O7_2	0.1871 (3)	0.6661 (3)	0.20988 (5)	0.02090 (17)
H3W_2	0.173 (3)	0.7091 (19)	0.2169 (4)	0.025*
H4W_2	0.158 (3)	0.674 (3)	0.1991 (3)	0.025*
Fe2_2	0.25606 (6)	0.55152 (6)	0.221884 (11)	0.01219 (7)
O1_2	0.3775 (2)	0.5848 (3)	0.20503 (5)	0.01543 (15)
O2_2	0.3405 (2)	0.6562 (3)	0.23915 (5)	0.01650 (15)
O3_2	0.2024 (2)	0.5587 (3)	0.25158 (5)	0.01685 (16)
O4_2	0.1202 (2)	0.4751 (3)	0.21893 (5)	0.01722 (15)
O5_2	0.2356 (3)	0.4827 (3)	0.19308 (5)	0.02154 (16)
C1_2	0.4240 (4)	0.6694 (4)	0.21186 (8)	0.0203 (2)
H11_2	0.3878	0.7251	0.2069	0.024*
H12_2	0.4861	0.6727	0.2071	0.024*
C2_2	0.4329 (4)	0.6667 (5)	0.23384 (7)	0.0205 (2)
H21_2	0.4722	0.6131	0.2388	0.025*
H22_2	0.4611	0.7256	0.2394	0.025*
C3_2	0.3346 (4)	0.6479 (4)	0.26015 (7)	0.0178 (2)
H31_2	0.3625	0.7036	0.2672	0.021*
H32_2	0.3676	0.5909	0.2655	0.021*
C4_2	0.2342 (4)	0.6415 (4)	0.26240 (7)	0.0175 (2)
H41_2	0.2243	0.6354	0.2764	0.021*
H42_2	0.2010	0.6981	0.2569	0.021*
C5_2	0.1032 (4)	0.5457 (5)	0.24959 (8)	0.0210 (2)
H51_2	0.0715	0.6000	0.2427	0.025*
H52_2	0.0806	0.5389	0.2627	0.025*
C6_2	0.0849 (4)	0.4556 (4)	0.23748 (8)	0.0228 (2)
H61_2	0.1177	0.4015	0.2441	0.027*
H62_2	0.0177	0.4415	0.2355	0.027*
C7_2	0.1215 (4)	0.3924 (4)	0.20641 (8)	0.0207 (2)
H71_2	0.0585	0.3653	0.2038	0.025*
H72_2	0.1636	0.3439	0.2128	0.025*
C8_2	0.1558 (4)	0.4259 (4)	0.18748 (8)	0.0201 (2)
H81_2	0.1724	0.3717	0.1795	0.024*
H82_2	0.1073	0.4631	0.1797	0.024*
C9_2	0.3042 (4)	0.4896 (4)	0.17991 (8)	0.0167 (2)
H91_2	0.2753	0.4875	0.1661	0.020*
H92_2	0.3490	0.4371	0.1820	0.020*
C10_2	0.3516 (4)	0.5817 (4)	0.18418 (7)	0.0176 (2)
H101_2	0.4073	0.5866	0.1770	0.021*
H102_2	0.3093	0.6343	0.1800	0.021*
O6_3	0.1922 (3)	0.6761 (3)	0.33194 (6)	0.02081 (16)
H1W_3	0.168 (2)	0.716 (2)	0.3385 (5)	0.025*
H2W_3	0.172 (3)	0.686 (3)	0.3205 (2)	0.025*
O7_3	0.3068 (3)	0.4279 (3)	0.35467 (6)	0.02090 (17)
H3W_3	0.313 (3)	0.3752 (14)	0.3498 (5)	0.025*
H4W_3	0.346 (2)	0.430 (3)	0.3643 (4)	0.025*
Fe3_3	0.24848 (9)	0.55168 (9)	0.342494 (15)	0.01219 (7)	0.8928 (19)
O1_3	0.1210 (2)	0.5284 (2)	0.35782 (4)	0.01543 (15)	0.8928 (19)
O2_3	0.1592 (2)	0.4466 (3)	0.32451 (5)	0.01650 (15)	0.8928 (19)
O3_3	0.3045 (2)	0.5392 (3)	0.31347 (5)	0.01685 (16)	0.8928 (19)
O4_3	0.3885 (2)	0.6187 (3)	0.34641 (5)	0.01722 (15)	0.8928 (19)
O5_3	0.2717 (2)	0.6149 (3)	0.37187 (5)	0.02154 (16)	0.8928 (19)
C1_3	0.0711 (4)	0.4453 (4)	0.35124 (7)	0.0203 (2)	0.8928 (19)
H11_3	0.0081	0.4461	0.3556	0.024*	0.8928 (19)
H12_3	0.1039	0.3885	0.3567	0.024*	0.8928 (19)
C2_3	0.0655 (3)	0.4454 (4)	0.32905 (7)	0.0205 (2)	0.8928 (19)
H21_3	0.0330	0.3885	0.3235	0.025*	0.8928 (19)
H22_3	0.0317	0.5017	0.3236	0.025*	0.8928 (19)
C3_3	0.1687 (3)	0.4526 (4)	0.30382 (7)	0.0178 (2)	0.8928 (19)
H31_3	0.1368	0.5093	0.2981	0.021*	0.8928 (19)
H32_3	0.1414	0.3965	0.2968	0.021*	0.8928 (19)
C4_3	0.2703 (4)	0.4579 (4)	0.30212 (7)	0.0175 (2)	0.8928 (19)
H41_3	0.3018	0.4001	0.3074	0.021*	0.8928 (19)
H42_3	0.2817	0.4652	0.2882	0.021*	0.8928 (19)
C5_3	0.4039 (3)	0.5480 (4)	0.31561 (7)	0.0210 (2)	0.8928 (19)
H51_3	0.4269	0.5555	0.3026	0.025*	0.8928 (19)
H52_3	0.4331	0.4916	0.3221	0.025*	0.8928 (19)
C6_3	0.4259 (4)	0.6344 (4)	0.32813 (7)	0.0228 (2)	0.8928 (19)
H61_3	0.4938	0.6440	0.3304	0.027*	0.8928 (19)
H62_3	0.3975	0.6909	0.3215	0.027*	0.8928 (19)
C7_3	0.3900 (4)	0.7004 (4)	0.35874 (7)	0.0207 (2)	0.8928 (19)
H71_3	0.3516	0.7509	0.3521	0.025*	0.8928 (19)
H72_3	0.4542	0.7239	0.3616	0.025*	0.8928 (19)
C8_3	0.3515 (3)	0.6723 (4)	0.37755 (7)	0.0201 (2)	0.8928 (19)
H81_3	0.3984	0.6365	0.3862	0.024*	0.8928 (19)
H82_3	0.3337	0.7287	0.3847	0.024*	0.8928 (19)
C9_3	0.1976 (4)	0.6205 (4)	0.38370 (7)	0.0167 (2)	0.8928 (19)
H91_3	0.1602	0.6778	0.3805	0.020*	0.8928 (19)
H92_3	0.2212	0.6217	0.3978	0.020*	0.8928 (19)
C10_3	0.1409 (4)	0.5337 (4)	0.37880 (7)	0.0176 (2)	0.8928 (19)
H101_3	0.1757	0.4772	0.3838	0.021*	0.8928 (19)
H102_3	0.0824	0.5367	0.3850	0.021*	0.8928 (19)
Fe9_9	0.2500 (5)	0.5563 (5)	0.34475 (9)	0.01219 (7)	0.1072 (19)
O1_9	0.3732 (6)	0.5825 (8)	0.32980 (14)	0.01543 (15)	0.1072 (19)
O2_9	0.3418 (7)	0.6500 (8)	0.36270 (13)	0.01650 (15)	0.1072 (19)
O3_9	0.1956 (7)	0.5699 (8)	0.37257 (11)	0.01685 (16)	0.1072 (19)
O4_9	0.1114 (6)	0.4889 (8)	0.34181 (15)	0.01722 (15)	0.1072 (19)
O5_9	0.2265 (7)	0.4923 (8)	0.31753 (11)	0.02154 (16)	0.1072 (19)
C1_9	0.4253 (7)	0.6631 (10)	0.33657 (18)	0.0203 (2)	0.1072 (19)
H1A_9	0.3939	0.7205	0.3319	0.024*	0.1072 (19)
H1B_9	0.4856	0.6618	0.3321	0.024*	0.1072 (19)
C2_9	0.4347 (7)	0.6600 (10)	0.35759 (18)	0.0205 (2)	0.1072 (19)
H2A_9	0.4726	0.6067	0.3624	0.025*	0.1072 (19)
H2B_9	0.4629	0.7177	0.3630	0.025*	0.1072 (19)
C3_9	0.3332 (9)	0.6485 (11)	0.38284 (13)	0.0178 (2)	0.1072 (19)
H3A_9	0.3615	0.7043	0.3891	0.021*	0.1072 (19)
H3B_9	0.3627	0.5927	0.3888	0.021*	0.1072 (19)
C4_9	0.2323 (9)	0.6471 (10)	0.38418 (13)	0.0175 (2)	0.1072 (19)
H4A_9	0.2208	0.6382	0.3974	0.021*	0.1072 (19)
H4B_9	0.2041	0.7061	0.3795	0.021*	0.1072 (19)
C5_9	0.1005 (8)	0.5589 (11)	0.37186 (17)	0.0210 (2)	0.1072 (19)
H5A_9	0.0688	0.6146	0.3664	0.025*	0.1072 (19)
H5B_9	0.0835	0.5491	0.3846	0.025*	0.1072 (19)
C6_9	0.0753 (7)	0.4725 (10)	0.35929 (18)	0.0228 (2)	0.1072 (19)
H6A_9	0.1020	0.4158	0.3654	0.027*	0.1072 (19)
H6B_9	0.0088	0.4648	0.3571	0.027*	0.1072 (19)
C7_9	0.1054 (8)	0.4116 (9)	0.32846 (18)	0.0207 (2)	0.1072 (19)
H7A_9	0.0415	0.3928	0.3252	0.025*	0.1072 (19)
H7B_9	0.1397	0.3578	0.3341	0.025*	0.1072 (19)
C8_9	0.1434 (9)	0.4417 (10)	0.31142 (15)	0.0201 (2)	0.1072 (19)
H8A_9	0.1564	0.3873	0.3038	0.024*	0.1072 (19)
H8B_9	0.0999	0.4823	0.3037	0.024*	0.1072 (19)
C9_9	0.2960 (9)	0.4932 (10)	0.30491 (13)	0.0167 (2)	0.1072 (19)
H9A_9	0.2679	0.4931	0.2917	0.020*	0.1072 (19)
H9B_9	0.3349	0.4377	0.3070	0.020*	0.1072 (19)
C10_9	0.3518 (9)	0.5813 (11)	0.30912 (13)	0.0176 (2)	0.1072 (19)
H10A_9	0.4078	0.5793	0.3030	0.021*	0.1072 (19)
H10B_9	0.3166	0.6369	0.3047	0.021*	0.1072 (19)
O6_4	0.1748 (3)	0.6730 (3)	0.45514 (5)	0.02081 (16)
H1W_4	0.164 (4)	0.717 (2)	0.4623 (5)	0.025*
H2W_4	0.176 (3)	0.695 (2)	0.4440 (2)	0.025*
O7_4	0.3166 (3)	0.4394 (3)	0.47867 (5)	0.02090 (17)
H3W_4	0.329 (3)	0.3856 (14)	0.4752 (5)	0.025*
H4W_4	0.352 (2)	0.448 (3)	0.4887 (4)	0.025*
Fe4_4	0.24573 (6)	0.55683 (7)	0.466663 (11)	0.01219 (7)
O1_4	0.1254 (2)	0.5225 (3)	0.48319 (5)	0.01543 (15)
O2_4	0.1622 (2)	0.4486 (3)	0.44938 (5)	0.01650 (15)
O3_4	0.2982 (2)	0.5517 (3)	0.43727 (4)	0.01685 (16)
O4_4	0.3789 (2)	0.6365 (3)	0.46921 (5)	0.01722 (15)
O5_4	0.2671 (2)	0.6241 (3)	0.49539 (5)	0.02154 (16)
C1_4	0.0793 (4)	0.4357 (4)	0.47687 (8)	0.0203 (2)
H11_4	0.0177	0.4316	0.4818	0.024*
H12_4	0.1168	0.3808	0.4818	0.024*
C2_4	0.0696 (3)	0.4384 (5)	0.45455 (7)	0.0205 (2)
H21_4	0.0412	0.3797	0.4490	0.025*
H22_4	0.0306	0.4923	0.4496	0.025*
C3_4	0.1674 (3)	0.4535 (4)	0.42874 (7)	0.0178 (2)
H31_4	0.1302	0.5069	0.4229	0.021*
H32_4	0.1443	0.3947	0.4222	0.021*
C4_4	0.2698 (4)	0.4677 (4)	0.42657 (7)	0.0175 (2)
H41_4	0.3063	0.4131	0.4320	0.021*
H42_4	0.2793	0.4746	0.4125	0.021*
C5_4	0.3952 (3)	0.5727 (4)	0.43808 (7)	0.0210 (2)
H51_4	0.4126	0.5850	0.4247	0.025*
H52_4	0.4326	0.5194	0.4439	0.025*
C6_4	0.4109 (4)	0.6562 (5)	0.45038 (7)	0.0228 (2)
H61_4	0.4777	0.6720	0.4521	0.027*
H62_4	0.3765	0.7104	0.4441	0.027*
C7_4	0.3766 (4)	0.7169 (4)	0.48151 (8)	0.0207 (2)
H71_4	0.3330	0.7644	0.4753	0.025*
H72_4	0.4390	0.7455	0.4839	0.025*
C8_4	0.3447 (4)	0.6832 (4)	0.50064 (8)	0.0201 (2)
H81_4	0.3948	0.6478	0.5084	0.024*
H82_4	0.3269	0.7371	0.5086	0.024*
C9_4	0.1960 (4)	0.6196 (4)	0.50837 (8)	0.0167 (2)
H91_4	0.1515	0.6721	0.5057	0.020*
H92_4	0.2232	0.6230	0.5223	0.020*
C10_4	0.1479 (4)	0.5253 (4)	0.50411 (7)	0.0176 (2)
H101_4	0.1897	0.4727	0.5086	0.021*
H102_4	0.0910	0.5209	0.5109	0.021*
O6_5	0.3201 (3)	0.4325 (3)	0.60816 (5)	0.02081 (16)
H1W_5	0.355 (2)	0.423 (3)	0.6181 (3)	0.025*
H2W_5	0.323 (3)	0.388 (2)	0.6007 (5)	0.025*
O7_5	0.1949 (3)	0.6748 (3)	0.58559 (6)	0.02090 (17)
H3W_5	0.184 (3)	0.7164 (19)	0.5931 (4)	0.025*
H4W_5	0.157 (2)	0.676 (3)	0.5760 (3)	0.025*
Fe5_5	0.25751 (6)	0.55685 (6)	0.597484 (10)	0.01219 (7)
O1_5	0.3800 (2)	0.5878 (3)	0.58124 (5)	0.01543 (15)
O2_5	0.3442 (2)	0.6593 (3)	0.61533 (5)	0.01650 (15)
O3_5	0.2008 (2)	0.5661 (3)	0.62667 (5)	0.01685 (16)
O4_5	0.1187 (2)	0.4864 (3)	0.59387 (5)	0.01722 (15)
O5_5	0.2383 (3)	0.4868 (3)	0.56900 (5)	0.02154 (16)
C1_5	0.4296 (4)	0.6713 (4)	0.58831 (8)	0.0203 (2)
H11_5	0.3952	0.7283	0.5835	0.024*
H12_5	0.4918	0.6728	0.5836	0.024*
C2_5	0.4377 (4)	0.6670 (5)	0.61010 (8)	0.0205 (2)
H21_5	0.4751	0.6119	0.6150	0.025*
H22_5	0.4679	0.7246	0.6159	0.025*
C3_5	0.3371 (4)	0.6493 (4)	0.63611 (7)	0.0178 (2)
H31_5	0.3662	0.7035	0.6435	0.021*
H32_5	0.3679	0.5909	0.6412	0.021*
C4_5	0.2358 (4)	0.6458 (4)	0.63799 (8)	0.0175 (2)
H41_5	0.2248	0.6383	0.6519	0.021*
H42_5	0.2051	0.7042	0.6328	0.021*
C5_5	0.1014 (3)	0.5585 (5)	0.62427 (7)	0.0210 (2)
H51_5	0.0732	0.6146	0.6174	0.025*
H52_5	0.0773	0.5527	0.6372	0.025*
C6_5	0.0797 (4)	0.4700 (4)	0.61194 (8)	0.0228 (2)
H61_5	0.1082	0.4140	0.6187	0.027*
H62_5	0.0119	0.4601	0.6095	0.027*
C7_5	0.1156 (4)	0.4048 (4)	0.58112 (8)	0.0207 (2)
H71_5	0.0508	0.3834	0.5779	0.025*
H72_5	0.1521	0.3527	0.5877	0.025*
C8_5	0.1563 (4)	0.4344 (5)	0.56275 (8)	0.0201 (2)
H81_5	0.1717	0.3785	0.5551	0.024*
H82_5	0.1117	0.4737	0.5544	0.024*
C9_5	0.3062 (4)	0.4947 (4)	0.55576 (8)	0.0167 (2)
H91_5	0.2769	0.4940	0.5420	0.020*
H92_5	0.3510	0.4422	0.5576	0.020*
C10_5	0.3542 (4)	0.5877 (4)	0.56045 (7)	0.0176 (2)
H101_5	0.4098	0.5936	0.5533	0.021*
H102_5	0.3118	0.6406	0.5566	0.021*
O6_6	0.1856 (3)	0.6747 (3)	0.70530 (5)	0.02081 (16)
H1W_6	0.166 (3)	0.681 (3)	0.69369 (19)	0.025*
H2W_6	0.158 (2)	0.713 (2)	0.7114 (5)	0.025*
O7_6	0.3058 (3)	0.4290 (3)	0.72815 (6)	0.02090 (17)
H3W_6	0.320 (3)	0.428 (3)	0.74012 (17)	0.025*
H4W_6	0.314 (3)	0.3748 (12)	0.7246 (5)	0.025*
Fe6_6	0.24535 (6)	0.55114 (6)	0.715983 (11)	0.01219 (7)
O1_6	0.1199 (2)	0.5229 (3)	0.73185 (5)	0.01543 (15)
O2_6	0.1574 (2)	0.4450 (3)	0.69807 (5)	0.01650 (15)
O3_6	0.3028 (2)	0.5397 (3)	0.68718 (5)	0.01685 (16)
O4_6	0.3852 (2)	0.6192 (3)	0.72033 (5)	0.01722 (15)
O5_6	0.2648 (2)	0.6200 (3)	0.74484 (5)	0.02154 (16)
C1_6	0.0721 (4)	0.4392 (5)	0.72524 (8)	0.0203 (2)
H11_6	0.0098	0.4373	0.7299	0.024*
H12_6	0.1072	0.3829	0.7303	0.024*
C2_6	0.0642 (4)	0.4421 (5)	0.70299 (8)	0.0205 (2)
H21_6	0.0319	0.3854	0.6973	0.025*
H22_6	0.0295	0.4985	0.6979	0.025*
C3_6	0.1665 (4)	0.4531 (4)	0.67751 (7)	0.0178 (2)
H31_6	0.1346	0.5103	0.6720	0.021*
H32_6	0.1389	0.3977	0.6703	0.021*
C4_6	0.2688 (4)	0.4587 (4)	0.67570 (8)	0.0175 (2)
H41_6	0.3005	0.4008	0.6809	0.021*
H42_6	0.2799	0.4665	0.6618	0.021*
C5_6	0.4020 (3)	0.5493 (5)	0.68969 (8)	0.0210 (2)
H51_6	0.4259	0.5563	0.6767	0.025*
H52_6	0.4309	0.4930	0.6963	0.025*
C6_6	0.4247 (4)	0.6344 (4)	0.70194 (8)	0.0228 (2)
H61_6	0.4927	0.6427	0.7044	0.027*
H62_6	0.3976	0.6912	0.6952	0.027*
C7_6	0.3862 (4)	0.7011 (4)	0.73242 (8)	0.0207 (2)
H71_6	0.3480	0.7515	0.7256	0.025*
H72_6	0.4504	0.7247	0.7355	0.025*
C8_6	0.3468 (4)	0.6722 (5)	0.75096 (8)	0.0201 (2)
H81_6	0.3918	0.6329	0.7593	0.024*
H82_6	0.3318	0.7282	0.7586	0.024*
C9_6	0.1929 (4)	0.6161 (4)	0.75766 (8)	0.0167 (2)
H91_6	0.1502	0.6701	0.7552	0.020*
H92_6	0.2198	0.6173	0.7716	0.020*
C10_6	0.1432 (4)	0.5262 (4)	0.75300 (7)	0.0176 (2)
H101_6	0.1832	0.4722	0.7574	0.021*
H102_6	0.0862	0.5233	0.7597	0.021*
O6_7	0.3221 (3)	0.4348 (3)	0.85616 (5)	0.02081 (16)
H1W_7	0.340 (3)	0.388 (2)	0.8506 (5)	0.025*
H2W_7	0.354 (2)	0.437 (3)	0.8668 (3)	0.025*
O7_7	0.1785 (3)	0.6664 (3)	0.83320 (5)	0.02090 (17)
H3W_7	0.173 (3)	0.7141 (17)	0.8397 (4)	0.025*
H4W_7	0.176 (3)	0.685 (2)	0.8218 (2)	0.025*
Fe7_7	0.25256 (8)	0.55358 (9)	0.845308 (14)	0.01219 (7)	0.8775 (19)
O1_7	0.3754 (2)	0.5873 (2)	0.82880 (5)	0.01543 (15)	0.8775 (19)
O2_7	0.3355 (2)	0.6627 (3)	0.86243 (5)	0.01650 (15)	0.8775 (19)
O3_7	0.2011 (2)	0.5590 (3)	0.87509 (4)	0.01685 (16)	0.8775 (19)
O4_7	0.1205 (2)	0.4716 (3)	0.84280 (5)	0.01722 (15)	0.8775 (19)
O5_7	0.2296 (2)	0.4913 (3)	0.81580 (5)	0.02154 (16)	0.8775 (19)
C1_7	0.4205 (4)	0.6728 (4)	0.83555 (8)	0.0203 (2)	0.8775 (19)
H11_7	0.3839	0.7277	0.8303	0.024*	0.8775 (19)
H12_7	0.4829	0.6765	0.8310	0.024*	0.8775 (19)
C2_7	0.4283 (3)	0.6723 (4)	0.85739 (7)	0.0205 (2)	0.8775 (19)
H21_7	0.4673	0.6191	0.8627	0.025*	0.8775 (19)
H22_7	0.4563	0.7317	0.8627	0.025*	0.8775 (19)
C3_7	0.3276 (3)	0.6572 (4)	0.88332 (7)	0.0178 (2)	0.8775 (19)
H31_7	0.3513	0.7155	0.8900	0.021*	0.8775 (19)
H32_7	0.3637	0.6032	0.8892	0.021*	0.8775 (19)
C4_7	0.2261 (4)	0.6446 (4)	0.88538 (7)	0.0175 (2)	0.8775 (19)
H41_7	0.2156	0.6395	0.8994	0.021*	0.8775 (19)
H42_7	0.1896	0.6982	0.8794	0.021*	0.8775 (19)
C5_7	0.1047 (3)	0.5376 (4)	0.87415 (8)	0.0210 (2)	0.8775 (19)
H51_7	0.0671	0.5901	0.8680	0.025*	0.8775 (19)
H52_7	0.0864	0.5267	0.8875	0.025*	0.8775 (19)
C6_7	0.0901 (4)	0.4481 (4)	0.86157 (7)	0.0228 (2)	0.8775 (19)
H61_7	0.1271	0.3954	0.8678	0.027*	0.8775 (19)
H62_7	0.0239	0.4297	0.8600	0.027*	0.8775 (19)
C7_7	0.1257 (4)	0.3908 (4)	0.82999 (7)	0.0207 (2)	0.8775 (19)
H71_7	0.0644	0.3598	0.8277	0.025*	0.8775 (19)
H72_7	0.1710	0.3446	0.8361	0.025*	0.8775 (19)
C8_7	0.1554 (4)	0.4254 (4)	0.81105 (7)	0.0201 (2)	0.8775 (19)
H81_7	0.1770	0.3723	0.8034	0.024*	0.8775 (19)
H82_7	0.1029	0.4565	0.8031	0.024*	0.8775 (19)
C9_7	0.3042 (4)	0.4912 (4)	0.80387 (7)	0.0167 (2)	0.8775 (19)
H91_7	0.2805	0.4859	0.7898	0.020*	0.8775 (19)
H92_7	0.3467	0.4379	0.8074	0.020*	0.8775 (19)
C10_7	0.3534 (4)	0.5832 (4)	0.80787 (7)	0.0176 (2)	0.8775 (19)
H101_7	0.4105	0.5857	0.8012	0.021*	0.8775 (19)
H102_7	0.3128	0.6363	0.8032	0.021*	0.8775 (19)
Fe10_10	0.2474 (4)	0.5575 (4)	0.84215 (7)	0.01219 (7)	0.1225 (19)
O1_10	0.1299 (5)	0.5194 (7)	0.85834 (12)	0.01543 (15)	0.1225 (19)
O2_10	0.1631 (6)	0.4554 (6)	0.82486 (11)	0.01650 (15)	0.1225 (19)
O3_10	0.2986 (6)	0.5506 (7)	0.81417 (9)	0.01685 (16)	0.1225 (19)
O4_10	0.3797 (5)	0.6369 (7)	0.84471 (13)	0.01722 (15)	0.1225 (19)
O5_10	0.2680 (6)	0.6227 (7)	0.86956 (9)	0.02154 (16)	0.1225 (19)
C1_10	0.0838 (7)	0.4321 (8)	0.85145 (15)	0.0203 (2)	0.1225 (19)
H1A_10	0.0237	0.4273	0.8560	0.024*	0.1225 (19)
H1B_10	0.1203	0.3775	0.8560	0.024*	0.1225 (19)
C2_10	0.0737 (6)	0.4373 (8)	0.82962 (15)	0.0205 (2)	0.1225 (19)
H2A_10	0.0502	0.3781	0.8240	0.025*	0.1225 (19)
H2B_10	0.0318	0.4878	0.8250	0.025*	0.1225 (19)
C3_10	0.1673 (8)	0.4577 (9)	0.80484 (11)	0.0178 (2)	0.1225 (19)
H3A_10	0.1312	0.5100	0.7990	0.021*	0.1225 (19)
H3B_10	0.1437	0.3992	0.7989	0.021*	0.1225 (19)
C4_10	0.2677 (8)	0.4700 (9)	0.80250 (11)	0.0175 (2)	0.1225 (19)
H4A_10	0.3026	0.4139	0.8068	0.021*	0.1225 (19)
H4B_10	0.2754	0.4814	0.7892	0.021*	0.1225 (19)
C5_10	0.3964 (7)	0.5710 (9)	0.81481 (14)	0.0210 (2)	0.1225 (19)
H5A_10	0.4127	0.5818	0.8020	0.025*	0.1225 (19)
H5B_10	0.4331	0.5190	0.8206	0.025*	0.1225 (19)
C6_10	0.4114 (7)	0.6576 (8)	0.82668 (15)	0.0228 (2)	0.1225 (19)
H6A_10	0.4764	0.6741	0.8285	0.027*	0.1225 (19)
H6B_10	0.3770	0.7102	0.8205	0.027*	0.1225 (19)
C7_10	0.3808 (8)	0.7162 (7)	0.85698 (16)	0.0207 (2)	0.1225 (19)
H7A_10	0.3419	0.7661	0.8510	0.025*	0.1225 (19)
H7B_10	0.4431	0.7404	0.8599	0.025*	0.1225 (19)
C8_10	0.3443 (8)	0.6820 (8)	0.87527 (13)	0.0201 (2)	0.1225 (19)
H8A_10	0.3918	0.6473	0.8832	0.024*	0.1225 (19)
H8B_10	0.3255	0.7354	0.8826	0.024*	0.1225 (19)
C9_10	0.2029 (8)	0.6154 (9)	0.88277 (11)	0.0167 (2)	0.1225 (19)
H9A_10	0.1597	0.6677	0.8812	0.020*	0.1225 (19)
H9B_10	0.2336	0.6160	0.8958	0.020*	0.1225 (19)
C10_10	0.1542 (8)	0.5238 (9)	0.87851 (11)	0.0176 (2)	0.1225 (19)
H10A_10	0.1943	0.4713	0.8828	0.021*	0.1225 (19)
H10B_10	0.0994	0.5206	0.8850	0.021*	0.1225 (19)
O6_8	0.3099 (3)	0.4328 (3)	0.98143 (6)	0.02081 (16)
H1W_8	0.314 (3)	0.3859 (19)	0.9745 (5)	0.025*
H2W_8	0.346 (2)	0.425 (3)	0.9912 (3)	0.025*
O7_8	0.1946 (3)	0.6781 (3)	0.95834 (6)	0.02090 (17)
H3W_8	0.181 (3)	0.720 (2)	0.9659 (4)	0.025*
H4W_8	0.160 (2)	0.686 (3)	0.9482 (3)	0.025*
Fe8_8	0.25230 (6)	0.55887 (7)	0.970394 (11)	0.01219 (7)
O1_8	0.3778 (2)	0.5824 (3)	0.95507 (5)	0.01543 (15)
O2_8	0.3414 (2)	0.6604 (3)	0.98859 (5)	0.01650 (15)
O3_8	0.1951 (2)	0.5698 (3)	0.99922 (5)	0.01685 (16)
O4_8	0.1119 (2)	0.4902 (3)	0.96662 (5)	0.01722 (15)
O5_8	0.2306 (2)	0.4915 (3)	0.94167 (5)	0.02154 (16)
C1_8	0.4295 (4)	0.6665 (4)	0.96199 (8)	0.0203 (2)
H11_8	0.3970	0.7239	0.9568	0.024*
H12_8	0.4924	0.6656	0.9576	0.024*
C2_8	0.4355 (4)	0.6647 (5)	0.98397 (7)	0.0205 (2)
H21_8	0.4708	0.6091	0.9893	0.025*
H22_8	0.4665	0.7221	0.9896	0.025*
C3_8	0.3316 (4)	0.6542 (4)	1.00929 (7)	0.0178 (2)
H31_8	0.3593	0.7099	1.0163	0.021*
H32_8	0.3627	0.5970	1.0150	0.021*
C4_8	0.2293 (4)	0.6499 (4)	1.01075 (8)	0.0175 (2)
H41_8	0.2171	0.6422	1.0246	0.021*
H42_8	0.1987	0.7082	1.0055	0.021*
C5_8	0.0958 (3)	0.5622 (5)	0.99711 (7)	0.0210 (2)
H51_8	0.0671	0.6182	0.9904	0.025*
H52_8	0.0725	0.5561	1.0101	0.025*
C6_8	0.0746 (4)	0.4756 (4)	0.98504 (8)	0.0228 (2)
H61_8	0.1034	0.4199	0.9919	0.027*
H62_8	0.0067	0.4655	0.9828	0.027*
C7_8	0.1098 (4)	0.4079 (4)	0.95431 (8)	0.0207 (2)
H71_8	0.0454	0.3851	0.9512	0.025*
H72_8	0.1476	0.3569	0.9610	0.025*
C8_8	0.1496 (4)	0.4377 (4)	0.93568 (8)	0.0201 (2)
H81_8	0.1657	0.3819	0.9281	0.024*
H82_8	0.1040	0.4760	0.9273	0.024*
C9_8	0.3040 (4)	0.4914 (4)	0.92946 (8)	0.0167 (2)
H91_8	0.2790	0.4898	0.9154	0.020*
H92_8	0.3446	0.4360	0.9323	0.020*
C10_8	0.3577 (4)	0.5818 (4)	0.93420 (7)	0.0176 (2)
H101_8	0.4157	0.5825	0.9278	0.021*
H102_8	0.3199	0.6372	0.9297	0.021*
N1_11	0.0705 (3)	0.7426 (4)	0.03409 (7)	0.01766 (19)
O8_11	0.0448 (3)	0.6710 (3)	0.04146 (6)	0.0331 (2)
O9_11	0.1424 (3)	0.7865 (3)	0.04275 (6)	0.02545 (17)
O10_11	0.0344 (3)	0.7765 (3)	0.01851 (6)	0.02637 (17)
N2_12	0.1012 (3)	0.7299 (3)	0.16453 (6)	0.01585 (19)
O8_12	0.0881 (3)	0.6568 (3)	0.17350 (5)	0.02458 (17)
O9_12	0.1790 (3)	0.7722 (3)	0.16751 (5)	0.02463 (17)
O10_12	0.0428 (3)	0.7649 (3)	0.15210 (6)	0.02607 (18)
N3_13	0.0802 (3)	0.7366 (3)	0.28760 (7)	0.01766 (19)
O8_13	0.0697 (3)	0.6663 (3)	0.29765 (6)	0.0331 (2)
O9_13	0.1438 (3)	0.7966 (3)	0.29326 (6)	0.02545 (17)
O10_13	0.0325 (3)	0.7504 (3)	0.27145 (6)	0.02637 (17)
N4_14	0.0765 (3)	0.7388 (3)	0.41028 (7)	0.01766 (19)
O8_14	0.0499 (3)	0.6654 (3)	0.41646 (6)	0.0331 (2)
O9_14	0.1523 (3)	0.7756 (3)	0.41899 (6)	0.02545 (17)
O10_14	0.0379 (3)	0.7835 (3)	0.39629 (5)	0.02637 (17)
N5_15	0.1000 (3)	0.7349 (3)	0.54050 (6)	0.01585 (19)
O8_15	0.0941 (3)	0.6603 (3)	0.54950 (5)	0.02458 (17)
O9_15	0.1701 (3)	0.7881 (3)	0.54382 (6)	0.02463 (17)
O10_15	0.0395 (3)	0.7590 (3)	0.52720 (6)	0.02607 (18)
N6_16	0.0740 (3)	0.7395 (3)	0.66110 (7)	0.01766 (19)
O8_16	0.0618 (3)	0.6679 (3)	0.67063 (5)	0.0331 (2)
O9_16	0.1390 (3)	0.7967 (3)	0.66812 (5)	0.02545 (17)
O10_16	0.0303 (3)	0.7585 (3)	0.64512 (5)	0.02637 (17)
N7_17	0.0948 (3)	0.7326 (3)	0.78802 (6)	0.01585 (19)
O8_17	0.0764 (2)	0.6610 (3)	0.79685 (5)	0.02458 (17)
O9_17	0.1736 (2)	0.7726 (3)	0.79264 (5)	0.02463 (17)
O10_17	0.0416 (3)	0.7701 (3)	0.77487 (5)	0.02607 (18)
N8_18	0.0890 (3)	0.7365 (3)	0.91364 (7)	0.01585 (19)
O8_18	0.0830 (3)	0.6643 (3)	0.92331 (5)	0.02458 (17)
O9_18	0.1550 (3)	0.7958 (3)	0.91807 (6)	0.02463 (17)
O10_18	0.0350 (3)	0.7531 (3)	0.89843 (5)	0.02607 (18)
N9_19	0.3978 (3)	0.3712 (3)	0.14768 (6)	0.01585 (19)
O8_19	0.4061 (3)	0.4480 (3)	0.13823 (5)	0.02458 (17)
O9_19	0.3237 (2)	0.3261 (3)	0.14342 (5)	0.02463 (17)
O10_19	0.4606 (3)	0.3461 (3)	0.16010 (6)	0.02607 (18)
N10_20	0.4245 (3)	0.3624 (3)	0.27810 (7)	0.01766 (19)
O8_20	0.4575 (3)	0.4392 (3)	0.27197 (6)	0.0331 (2)
O9_20	0.3553 (3)	0.3272 (3)	0.26903 (6)	0.02545 (17)
O10_20	0.4644 (3)	0.3281 (3)	0.29347 (5)	0.02637 (17)
N11_21	0.4130 (3)	0.3679 (3)	0.40003 (7)	0.01585 (19)
O8_21	0.4217 (3)	0.4414 (3)	0.38955 (5)	0.02458 (17)
O9_21	0.3488 (3)	0.3138 (3)	0.39443 (6)	0.02463 (17)
O10_21	0.4663 (3)	0.3539 (3)	0.41466 (6)	0.02607 (18)
N12_22	0.4008 (3)	0.3727 (3)	0.52417 (6)	0.01585 (19)
O8_22	0.4199 (3)	0.4497 (3)	0.51552 (5)	0.02458 (17)
O9_22	0.3222 (3)	0.3389 (3)	0.51979 (5)	0.02463 (17)
O10_22	0.4594 (3)	0.3392 (3)	0.53653 (6)	0.02607 (18)
N13_23	0.4280 (3)	0.3637 (3)	0.65300 (7)	0.01766 (19)
O8_23	0.4552 (3)	0.4398 (3)	0.64563 (5)	0.0331 (2)
O9_23	0.3606 (3)	0.3230 (3)	0.64454 (6)	0.02545 (17)
O10_23	0.4689 (3)	0.3343 (3)	0.66858 (5)	0.02637 (17)
N14_24	0.4035 (3)	0.3682 (3)	0.77366 (6)	0.01585 (19)
O8_24	0.4103 (3)	0.4441 (3)	0.76375 (5)	0.02458 (17)
O9_24	0.3327 (2)	0.3200 (3)	0.76914 (6)	0.02463 (17)
O10_24	0.4651 (3)	0.3463 (3)	0.78655 (5)	0.02607 (18)
N15_25	0.4181 (3)	0.3678 (3)	0.90153 (6)	0.01766 (19)
O8_25	0.4497 (2)	0.4464 (3)	0.89622 (5)	0.0331 (2)
O9_25	0.3433 (2)	0.3387 (3)	0.89336 (5)	0.02545 (17)
O10_25	0.4626 (3)	0.3265 (3)	0.91520 (5)	0.02637 (17)
N16_26	0.4222 (3)	0.3676 (4)	1.02578 (7)	0.01766 (19)
O8_26	0.4346 (3)	0.4417 (3)	1.01593 (6)	0.0331 (2)
O9_26	0.3607 (3)	0.3128 (3)	1.01908 (6)	0.02545 (17)
O10_26	0.4706 (3)	0.3525 (3)	1.04126 (6)	0.02637 (17)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O6_1	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_1	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe1_1	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_1	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_1	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_1	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_1	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_1	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_1	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_1	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_1	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_1	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_1	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_1	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_1	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_1	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_1	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_1	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
O6_2	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_2	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe2_2	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_2	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_2	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_2	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_2	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_2	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_2	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_2	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_2	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_2	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_2	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_2	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_2	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_2	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_2	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_2	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
O6_3	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_3	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe3_3	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_3	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_3	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_3	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_3	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_3	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_3	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_3	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_3	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_3	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_3	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_3	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_3	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_3	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_3	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_3	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
Fe9_9	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_9	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_9	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_9	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_9	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_9	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_9	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_9	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_9	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_9	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_9	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_9	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_9	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_9	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_9	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_9	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
O6_4	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_4	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe4_4	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_4	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_4	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_4	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_4	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_4	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_4	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_4	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_4	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_4	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_4	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_4	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_4	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_4	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_4	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_4	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
O6_5	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_5	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe5_5	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_5	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_5	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_5	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_5	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_5	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_5	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_5	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_5	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_5	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_5	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_5	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_5	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_5	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_5	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_5	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
O6_6	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_6	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe6_6	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_6	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_6	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_6	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_6	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_6	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_6	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_6	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_6	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_6	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_6	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_6	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_6	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_6	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_6	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_6	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
O6_7	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_7	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe7_7	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_7	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_7	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_7	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_7	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_7	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_7	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_7	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_7	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_7	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_7	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_7	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_7	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_7	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_7	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_7	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
Fe10_10	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_10	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_10	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_10	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_10	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_10	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_10	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_10	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_10	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_10	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_10	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_10	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_10	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_10	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_10	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_10	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
O6_8	0.0288 (4)	0.0183 (4)	0.0150 (4)	0.0075 (3)	0.0012 (3)	−0.0008 (3)
O7_8	0.0271 (4)	0.0167 (4)	0.0181 (4)	0.0065 (3)	−0.0011 (3)	−0.0006 (3)
Fe8_8	0.01302 (10)	0.01201 (11)	0.01183 (10)	−0.00025 (5)	0.00266 (7)	−0.00071 (5)
O1_8	0.0173 (3)	0.0164 (3)	0.0128 (3)	−0.0027 (3)	0.0028 (3)	−0.0012 (3)
O2_8	0.0160 (3)	0.0201 (4)	0.0136 (3)	−0.0015 (3)	0.0027 (3)	−0.0020 (3)
O3_8	0.0173 (4)	0.0173 (3)	0.0167 (4)	−0.0018 (3)	0.0050 (3)	−0.0045 (3)
O4_8	0.0196 (3)	0.0187 (3)	0.0142 (3)	−0.0044 (3)	0.0055 (3)	−0.0029 (3)
O5_8	0.0198 (4)	0.0282 (4)	0.0177 (4)	−0.0091 (3)	0.0074 (3)	−0.0101 (3)
C1_8	0.0195 (5)	0.0186 (5)	0.0236 (5)	−0.0067 (4)	0.0067 (4)	−0.0037 (4)
C2_8	0.0148 (5)	0.0235 (5)	0.0233 (5)	−0.0051 (4)	0.0029 (4)	−0.0057 (4)
C3_8	0.0243 (5)	0.0170 (5)	0.0118 (5)	−0.0021 (4)	0.0005 (4)	−0.0047 (4)
C4_8	0.0255 (5)	0.0135 (5)	0.0140 (5)	0.0014 (4)	0.0046 (4)	−0.0045 (4)
C5_8	0.0161 (6)	0.0294 (6)	0.0191 (6)	−0.0029 (4)	0.0083 (4)	−0.0022 (4)
C6_8	0.0219 (5)	0.0294 (5)	0.0185 (5)	−0.0093 (4)	0.0093 (4)	−0.0011 (4)
C7_8	0.0262 (5)	0.0173 (5)	0.0188 (5)	−0.0066 (4)	0.0033 (4)	−0.0053 (4)
C8_8	0.0204 (5)	0.0208 (5)	0.0188 (5)	−0.0077 (4)	0.0011 (4)	−0.0057 (4)
C9_8	0.0181 (5)	0.0204 (5)	0.0125 (5)	0.0014 (4)	0.0056 (4)	−0.0004 (4)
C10_8	0.0203 (5)	0.0215 (5)	0.0115 (5)	−0.0019 (4)	0.0038 (4)	0.0017 (4)
N1_11	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_11	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_11	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_11	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)
N2_12	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_12	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_12	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_12	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N3_13	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_13	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_13	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_13	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)
N4_14	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_14	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_14	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_14	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)
N5_15	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_15	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_15	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_15	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N6_16	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_16	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_16	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_16	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)
N7_17	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_17	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_17	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_17	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N8_18	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_18	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_18	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_18	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N9_19	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_19	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_19	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_19	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N10_20	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_20	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_20	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_20	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)
N11_21	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_21	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_21	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_21	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N12_22	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_22	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_22	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_22	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N13_23	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_23	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_23	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_23	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)
N14_24	0.0194 (4)	0.0145 (4)	0.0142 (4)	0.0011 (3)	0.0046 (3)	−0.0014 (3)
O8_24	0.0325 (4)	0.0192 (4)	0.0226 (4)	−0.0073 (3)	0.0059 (3)	0.0040 (3)
O9_24	0.0290 (4)	0.0215 (4)	0.0223 (4)	−0.0098 (3)	−0.0018 (3)	0.0031 (3)
O10_24	0.0228 (4)	0.0287 (4)	0.0251 (4)	0.0065 (3)	−0.0047 (3)	0.0003 (3)
N15_25	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_25	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_25	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_25	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)
N16_26	0.0197 (4)	0.0153 (4)	0.0189 (4)	0.0021 (3)	0.0063 (3)	−0.0014 (3)
O8_26	0.0427 (5)	0.0193 (4)	0.0402 (5)	−0.0028 (3)	0.0182 (4)	0.0086 (3)
O9_26	0.0275 (4)	0.0283 (4)	0.0195 (4)	−0.0059 (3)	−0.0026 (3)	−0.0016 (3)
O10_26	0.0256 (4)	0.0269 (4)	0.0247 (4)	0.0037 (3)	−0.0057 (3)	−0.0006 (3)

Geometric parameters (Å, º)

O6_1—Fe1_1	2.061 (4)	C2_5—H22_5	0.9900
O6_1—H1W_1	0.822 (10)	C3_5—C4_5	1.489 (7)
O6_1—H2W_1	0.818 (10)	C3_5—H31_5	0.9900
O7_1—Fe1_1	2.090 (4)	C3_5—H32_5	0.9900
O7_1—H3W_1	0.818 (10)	C4_5—H41_5	0.9900
O7_1—H4W_1	0.814 (10)	C4_5—H42_5	0.9900
Fe1_1—O5_1	2.181 (4)	C5_5—C6_5	1.529 (9)
Fe1_1—O4_1	2.226 (4)	C5_5—H51_5	0.9900
Fe1_1—O3_1	2.227 (3)	C5_5—H52_5	0.9900
Fe1_1—O1_1	2.240 (4)	C6_5—H61_5	0.9900
Fe1_1—O2_1	2.240 (4)	C6_5—H62_5	0.9900
O1_1—C1_1	1.439 (7)	C7_5—C8_5	1.505 (7)
O1_1—C10_1	1.441 (6)	C7_5—H71_5	0.9900
O2_1—C3_1	1.430 (6)	C7_5—H72_5	0.9900
O2_1—C2_1	1.438 (6)	C8_5—H81_5	0.9900
O3_1—C5_1	1.442 (6)	C8_5—H82_5	0.9900
O3_1—C4_1	1.443 (7)	C9_5—C10_5	1.512 (8)
O4_1—C7_1	1.429 (6)	C9_5—H91_5	0.9900
O4_1—C6_1	1.439 (6)	C9_5—H92_5	0.9900
O5_1—C8_1	1.420 (6)	C10_5—H101_5	0.9900
O5_1—C9_1	1.433 (6)	C10_5—H102_5	0.9900
C1_1—C2_1	1.508 (7)	O6_6—Fe6_6	2.058 (4)
C1_1—H11_1	0.9900	O6_6—H1W_6	0.819 (10)
C1_1—H12_1	0.9900	O6_6—H2W_6	0.819 (10)
C2_1—H21_1	0.9900	O7_6—Fe6_6	2.078 (4)
C2_1—H22_1	0.9900	O7_6—H3W_6	0.823 (10)
C3_1—C4_1	1.515 (7)	O7_6—H4W_6	0.823 (10)
C3_1—H31_1	0.9900	Fe6_6—O5_6	2.194 (4)
C3_1—H32_1	0.9900	Fe6_6—O3_6	2.227 (3)
C4_1—H41_1	0.9900	Fe6_6—O4_6	2.239 (4)
C4_1—H42_1	0.9900	Fe6_6—O2_6	2.251 (4)
C5_1—C6_1	1.476 (8)	Fe6_6—O1_6	2.254 (4)
C5_1—H51_1	0.9900	O1_6—C1_6	1.427 (7)
C5_1—H52_1	0.9900	O1_6—C10_6	1.450 (6)
C6_1—H61_1	0.9900	O2_6—C2_6	1.428 (6)
C6_1—H62_1	0.9900	O2_6—C3_6	1.431 (6)
C7_1—C8_1	1.503 (7)	O3_6—C5_6	1.437 (6)
C7_1—H71_1	0.9900	O3_6—C4_6	1.451 (7)
C7_1—H72_1	0.9900	O4_6—C7_6	1.428 (7)
C8_1—H81_1	0.9900	O4_6—C6_6	1.454 (6)
C8_1—H82_1	0.9900	O5_6—C8_6	1.426 (6)
C9_1—C10_1	1.504 (8)	O5_6—C9_6	1.435 (6)
C9_1—H91_1	0.9900	C1_6—C2_6	1.514 (8)
C9_1—H92_1	0.9900	C1_6—H11_6	0.9900
C10_1—H101_1	0.9900	C1_6—H12_6	0.9900
C10_1—H102_1	0.9900	C2_6—H21_6	0.9900
O6_2—Fe2_2	2.076 (4)	C2_6—H22_6	0.9900
O6_2—H1W_2	0.819 (10)	C3_6—C4_6	1.505 (7)
O6_2—H2W_2	0.820 (10)	C3_6—H31_6	0.9900
O7_2—Fe2_2	2.039 (4)	C3_6—H32_6	0.9900
O7_2—H3W_2	0.817 (10)	C4_6—H41_6	0.9900
O7_2—H4W_2	0.818 (10)	C4_6—H42_6	0.9900
Fe2_2—O2_2	2.190 (4)	C5_6—C6_6	1.488 (9)
Fe2_2—O5_2	2.191 (4)	C5_6—H51_6	0.9900
Fe2_2—O4_2	2.240 (4)	C5_6—H52_6	0.9900
Fe2_2—O3_2	2.255 (3)	C6_6—H61_6	0.9900
Fe2_2—O1_2	2.257 (4)	C6_6—H62_6	0.9900
O1_2—C1_2	1.433 (7)	C7_6—C8_6	1.504 (7)
O1_2—C10_2	1.435 (6)	C7_6—H71_6	0.9900
O2_2—C2_2	1.434 (6)	C7_6—H72_6	0.9900
O2_2—C3_2	1.452 (6)	C8_6—H81_6	0.9900
O3_2—C4_2	1.441 (7)	C8_6—H82_6	0.9900
O3_2—C5_2	1.442 (6)	C9_6—C10_6	1.487 (8)
O4_2—C6_2	1.446 (6)	C9_6—H91_6	0.9900
O4_2—C7_2	1.456 (6)	C9_6—H92_6	0.9900
O5_2—C9_2	1.416 (6)	C10_6—H101_6	0.9900
O5_2—C8_2	1.430 (6)	C10_6—H102_6	0.9900
C1_2—C2_2	1.495 (7)	O6_7—Fe7_7	2.065 (4)
C1_2—H11_2	0.9900	O6_7—Fe10_10	2.218 (6)
C1_2—H12_2	0.9900	O6_7—H1W_7	0.824 (10)
C2_2—H21_2	0.9900	O6_7—H2W_7	0.816 (10)
C2_2—H22_2	0.9900	O7_7—Fe10_10	1.908 (6)
C3_2—C4_2	1.484 (7)	O7_7—Fe7_7	2.055 (4)
C3_2—H31_2	0.9900	O7_7—H3W_7	0.820 (10)
C3_2—H32_2	0.9900	O7_7—H4W_7	0.818 (10)
C4_2—H41_2	0.9900	Fe7_7—O5_7	2.196 (3)
C4_2—H42_2	0.9900	Fe7_7—O2_7	2.218 (4)
C5_2—C6_2	1.533 (8)	Fe7_7—O4_7	2.233 (4)
C5_2—H51_2	0.9900	Fe7_7—O3_7	2.245 (3)
C5_2—H52_2	0.9900	Fe7_7—O1_7	2.262 (3)
C6_2—H61_2	0.9900	O1_7—C1_7	1.433 (6)
C6_2—H62_2	0.9900	O1_7—C10_7	1.433 (5)
C7_2—C8_2	1.514 (7)	O1_7—H5B_10	1.4372
C7_2—H71_2	0.9900	O2_7—C2_7	1.433 (6)
C7_2—H72_2	0.9900	O2_7—C3_7	1.448 (5)
C8_2—H81_2	0.9900	O3_7—C5_7	1.427 (6)
C8_2—H82_2	0.9900	O3_7—C4_7	1.433 (6)
C9_2—C10_2	1.495 (8)	O3_7—H10A_10	1.3622
C9_2—H91_2	0.9900	O4_7—C6_7	1.442 (6)
C9_2—H92_2	0.9900	O4_7—C7_7	1.452 (6)
C10_2—H101_2	0.9900	O5_7—C9_7	1.425 (6)
C10_2—H102_2	0.9900	O5_7—C8_7	1.437 (6)
O6_3—Fe3_3	2.048 (4)	C1_7—C2_7	1.485 (7)
O6_3—Fe9_9	2.054 (8)	C1_7—H11_7	0.9900
O6_3—H1W_3	0.821 (10)	C1_7—H12_7	0.9900
O6_3—H2W_3	0.817 (10)	C1_7—H6A_10	0.9867
O7_3—Fe9_9	2.087 (8)	C1_7—H6B_10	1.2655
O7_3—Fe3_3	2.088 (4)	C2_7—H21_7	0.9900
O7_3—H3W_3	0.828 (10)	C2_7—H22_7	0.9900
O7_3—H4W_3	0.821 (10)	C2_7—H7B_10	1.0023
Fe3_3—O5_3	2.193 (3)	C3_7—C4_7	1.505 (7)
Fe3_3—O3_3	2.232 (3)	C3_7—H31_7	0.9900
Fe3_3—O4_3	2.233 (4)	C3_7—H32_7	0.9900
Fe3_3—O1_3	2.247 (4)	C3_7—H8A_10	0.9422
Fe3_3—O2_3	2.254 (4)	C3_7—H8B_10	1.1151
O1_3—C1_3	1.433 (6)	C4_7—H41_7	0.9900
O1_3—C10_3	1.435 (5)	C4_7—H42_7	0.9900
O2_3—C2_3	1.428 (6)	C4_7—H9A_10	1.0295
O2_3—C3_3	1.439 (6)	C4_7—H9B_10	0.8192
O2_3—H7B_9	1.4667	C5_7—C6_7	1.539 (7)
O3_3—C5_3	1.439 (6)	C5_7—H51_7	0.9900
O3_3—C4_3	1.449 (6)	C5_7—H52_7	0.9900
O4_3—C6_3	1.433 (6)	C5_7—H10B_10	0.7933
O4_3—C7_3	1.435 (6)	C6_7—H61_7	0.9900
O5_3—C9_3	1.417 (6)	C6_7—H62_7	0.9900
O5_3—C8_3	1.436 (6)	C6_7—H1A_10	1.0402
C1_3—C2_3	1.511 (7)	C6_7—H1B_10	1.1755
C1_3—H11_3	0.9900	C7_7—C8_7	1.493 (7)
C1_3—H12_3	0.9900	C7_7—H71_7	0.9900
C1_3—H6A_9	1.1074	C7_7—H72_7	0.9900
C1_3—H6B_9	1.0620	C7_7—H2A_10	1.1412
C2_3—H21_3	0.9900	C8_7—H81_7	0.9900
C2_3—H22_3	0.9900	C8_7—H82_7	0.9900
C2_3—H7A_9	0.8545	C8_7—H3A_10	1.4792
C3_3—C4_3	1.494 (7)	C8_7—H3B_10	0.9108
C3_3—H31_3	0.9900	C9_7—C10_7	1.501 (7)
C3_3—H32_3	0.9900	C9_7—H91_7	0.9900
C3_3—H8A_9	0.9452	C9_7—H92_7	0.9900
C3_3—H8B_9	1.0823	C9_7—H4A_10	1.1179
C4_3—H41_3	0.9900	C9_7—H4B_10	1.0560
C4_3—H42_3	0.9900	C10_7—H101_7	0.9900
C4_3—H9A_9	0.8710	C10_7—H102_7	0.9900
C4_3—H9B_9	1.0025	C10_7—H5A_10	0.9887
C5_3—C6_3	1.512 (7)	Fe10_10—O5_10	2.0840
C5_3—H51_3	0.9900	Fe10_10—O3_10	2.1288
C5_3—H52_3	0.9900	Fe10_10—O2_10	2.1656
C5_3—H10A_9	0.9782	Fe10_10—O1_10	2.1988
C6_3—H61_3	0.9900	Fe10_10—O4_10	2.2172
C6_3—H62_3	0.9900	O1_10—C10_10	1.3875
C6_3—H1A_9	1.3450	O1_10—C1_10	1.4639
C6_3—H1B_9	0.9621	O2_10—C3_10	1.3775
C7_3—C8_3	1.510 (7)	O2_10—C2_10	1.3949
C7_3—H71_3	0.9900	O3_10—C4_10	1.4402
C7_3—H72_3	0.9900	O3_10—C5_10	1.4441
C7_3—H2B_9	1.0944	O4_10—C6_10	1.3933
C8_3—H81_3	0.9900	O4_10—C7_10	1.4051
C8_3—H82_3	0.9900	O5_10—C9_10	1.3797
C8_3—H3A_9	0.9099	O5_10—C8_10	1.4120
C8_3—H3B_9	1.3699	C1_10—C2_10	1.4861
C9_3—C10_3	1.502 (7)	C1_10—H1A_10	0.9578
C9_3—H91_3	0.9900	C1_10—H1B_10	0.9721
C9_3—H92_3	0.9900	C2_10—H2A_10	0.9725
C9_3—H4A_9	0.9924	C2_10—H2B_10	0.9713
C9_3—H4B_9	1.2566	C3_10—C4_10	1.4937
C10_3—H101_3	0.9900	C3_10—H3A_10	0.9708
C10_3—H102_3	0.9900	C3_10—H3B_10	0.9719
C10_3—H5B_9	0.9862	C4_10—H4A_10	0.9724
Fe9_9—O5_9	2.0667	C4_10—H4B_10	0.9453
Fe9_9—O3_9	2.1465	C5_10—C6_10	1.4784
Fe9_9—O2_9	2.1684	C5_10—H5A_10	0.9446
Fe9_9—O1_9	2.1855	C5_10—H5B_10	0.9708
Fe9_9—O4_9	2.2167	C6_10—H6A_10	0.9663
O1_9—C10_9	1.4144	C6_10—H6B_10	0.9705
O1_9—C1_9	1.4229	C7_10—C8_10	1.4911
O2_9—C3_9	1.3965	C7_10—H7A_10	0.9702
O2_9—C2_9	1.4350	C7_10—H7B_10	0.9675
O3_9—C5_9	1.3841	C8_10—H8A_10	0.9666
O3_9—C4_9	1.4244	C8_10—H8B_10	0.9646
O4_9—C6_9	1.3760	C9_10—C10_10	1.4961
O4_9—C7_9	1.4258	C9_10—H9A_10	0.9718
O5_9—C9_9	1.3960	C9_10—H9B_10	0.9532
O5_9—C8_9	1.4271	C10_10—H10A_10	0.9718
C1_9—C2_9	1.4300	C10_10—H10B_10	0.9540
C1_9—H1A_9	0.9724	O6_8—Fe8_8	2.085 (4)
C1_9—H1B_9	0.9575	O6_8—H1W_8	0.826 (10)
C2_9—H2A_9	0.9716	O6_8—H2W_8	0.812 (10)
C2_9—H2B_9	0.9724	O7_8—Fe8_8	2.027 (4)
C3_9—C4_9	1.4766	O7_8—H3W_8	0.824 (10)
C3_9—H3A_9	0.9713	O7_8—H4W_8	0.820 (10)
C3_9—H3B_9	0.9712	Fe8_8—O5_8	2.178 (3)
C4_9—H4A_9	0.9445	Fe8_8—O1_8	2.222 (4)
C4_9—H4B_9	0.9728	Fe8_8—O3_8	2.226 (3)
C5_9—C6_9	1.5213	Fe8_8—O2_8	2.227 (4)
C5_9—H5A_9	0.9716	Fe8_8—O4_8	2.248 (4)
C5_9—H5B_9	0.9446	O1_8—C10_8	1.426 (6)
C6_9—H6A_9	0.9712	O1_8—C1_8	1.463 (7)
C6_9—H6B_9	0.9659	O2_8—C2_8	1.435 (6)
C7_9—C8_9	1.4089	O2_8—C3_8	1.440 (6)
C7_9—H7A_9	0.9673	O3_8—C5_8	1.436 (6)
C7_9—H7B_9	0.9712	O3_8—C4_8	1.443 (7)
C8_9—H8A_9	0.9641	O4_8—C6_8	1.439 (6)
C8_9—H8B_9	0.9675	O4_8—C7_8	1.440 (6)
C9_9—C10_9	1.5035	O5_8—C9_8	1.423 (6)
C9_9—H9A_9	0.9528	O5_8—C8_8	1.424 (6)
C9_9—H9B_9	0.9725	C1_8—C2_8	1.496 (7)
C10_9—H10A_9	0.9545	C1_8—H11_8	0.9900
C10_9—H10B_9	0.9723	C1_8—H12_8	0.9900
O6_4—Fe4_4	2.058 (4)	C2_8—H21_8	0.9900
O6_4—H1W_4	0.816 (10)	C2_8—H22_8	0.9900
O6_4—H2W_4	0.826 (10)	C3_8—C4_8	1.500 (7)
O7_4—Fe4_4	2.084 (4)	C3_8—H31_8	0.9900
O7_4—H3W_4	0.823 (10)	C3_8—H32_8	0.9900
O7_4—H4W_4	0.821 (10)	C4_8—H41_8	0.9900
Fe4_4—O5_4	2.177 (3)	C4_8—H42_8	0.9900
Fe4_4—O2_4	2.220 (4)	C5_8—C6_8	1.496 (8)
Fe4_4—O3_4	2.226 (3)	C5_8—H51_8	0.9900
Fe4_4—O4_4	2.230 (4)	C5_8—H52_8	0.9900
Fe4_4—O1_4	2.234 (4)	C6_8—H61_8	0.9900
O1_4—C10_4	1.433 (6)	C6_8—H62_8	0.9900
O1_4—C1_4	1.449 (6)	C7_8—C8_8	1.516 (7)
O2_4—C3_4	1.423 (5)	C7_8—H71_8	0.9900
O2_4—C2_4	1.433 (6)	C7_8—H72_8	0.9900
O3_4—C5_4	1.434 (6)	C8_8—H81_8	0.9900
O3_4—C4_4	1.439 (6)	C8_8—H82_8	0.9900
O4_4—C7_4	1.422 (6)	C9_8—C10_8	1.521 (8)
O4_4—C6_4	1.443 (6)	C9_8—H91_8	0.9900
O5_4—C8_4	1.419 (6)	C9_8—H92_8	0.9900
O5_4—C9_4	1.434 (6)	C10_8—H101_8	0.9900
C1_4—C2_4	1.518 (7)	C10_8—H102_8	0.9900
C1_4—H11_4	0.9900	N1_11—O8_11	1.213 (7)
C1_4—H12_4	0.9900	N1_11—O10_11	1.233 (6)
C2_4—H21_4	0.9900	N1_11—O9_11	1.301 (6)
C2_4—H22_4	0.9900	N2_12—O8_12	1.232 (6)
C3_4—C4_4	1.522 (7)	N2_12—O10_12	1.238 (5)
C3_4—H31_4	0.9900	N2_12—O9_12	1.275 (6)
C3_4—H32_4	0.9900	N3_13—O8_13	1.232 (6)
C4_4—H41_4	0.9900	N3_13—O10_13	1.254 (6)
C4_4—H42_4	0.9900	N3_13—O9_13	1.285 (6)
C5_4—C6_4	1.459 (8)	N4_14—O8_14	1.205 (6)
C5_4—H51_4	0.9900	N4_14—O10_14	1.231 (6)
C5_4—H52_4	0.9900	N4_14—O9_14	1.303 (6)
C6_4—H61_4	0.9900	N5_15—O8_15	1.233 (6)
C6_4—H62_4	0.9900	N5_15—O10_15	1.242 (5)
C7_4—C8_4	1.512 (7)	N5_15—O9_15	1.269 (6)
C7_4—H71_4	0.9900	N6_16—O8_16	1.232 (6)
C7_4—H72_4	0.9900	N6_16—O10_16	1.233 (5)
C8_4—H81_4	0.9900	N6_16—O9_16	1.298 (6)
C8_4—H82_4	0.9900	N7_17—O8_17	1.229 (6)
C9_4—C10_4	1.527 (8)	N7_17—O10_17	1.240 (5)
C9_4—H91_4	0.9900	N7_17—O9_17	1.285 (5)
C9_4—H92_4	0.9900	N8_18—O8_18	1.230 (6)
C10_4—H101_4	0.9900	N8_18—O10_18	1.255 (6)
C10_4—H102_4	0.9900	N8_18—O9_18	1.287 (6)
O6_5—Fe5_5	2.084 (4)	N9_19—O10_19	1.229 (5)
O6_5—H1W_5	0.814 (10)	N9_19—O9_19	1.259 (5)
O6_5—H2W_5	0.817 (10)	N9_19—O8_19	1.282 (6)
O7_5—Fe5_5	2.036 (4)	N10_20—O9_20	1.227 (6)
O7_5—H3W_5	0.808 (10)	N10_20—O10_20	1.244 (6)
O7_5—H4W_5	0.813 (10)	N10_20—O8_20	1.282 (6)
Fe5_5—O5_5	2.179 (4)	N11_21—O10_21	1.213 (6)
Fe5_5—O2_5	2.205 (4)	N11_21—O9_21	1.236 (6)
Fe5_5—O1_5	2.239 (4)	N11_21—O8_21	1.282 (6)
Fe5_5—O4_5	2.239 (4)	N12_22—O10_22	1.228 (6)
Fe5_5—O3_5	2.244 (3)	N12_22—O9_22	1.244 (6)
O1_5—C10_5	1.430 (6)	N12_22—O8_22	1.289 (6)
O1_5—C1_5	1.444 (7)	N13_23—O9_23	1.226 (6)
O2_5—C3_5	1.443 (6)	N13_23—O10_23	1.234 (5)
O2_5—C2_5	1.445 (6)	N13_23—O8_23	1.275 (6)
O3_5—C4_5	1.434 (7)	N14_24—O10_24	1.227 (5)
O3_5—C5_5	1.437 (6)	N14_24—O9_24	1.245 (6)
O4_5—C6_5	1.432 (6)	N14_24—O8_24	1.284 (6)
O4_5—C7_5	1.449 (6)	N15_25—O10_25	1.226 (5)
O5_5—C9_5	1.413 (6)	N15_25—O9_25	1.237 (5)
O5_5—C8_5	1.429 (6)	N15_25—O8_25	1.276 (6)
C1_5—C2_5	1.483 (7)	N16_26—O10_26	1.224 (6)
C1_5—H11_5	0.9900	N16_26—O9_26	1.236 (6)
C1_5—H12_5	0.9900	N16_26—O8_26	1.274 (7)
C2_5—H21_5	0.9900
Fe1_1—O6_1—H1W_1	129 (3)	O2_5—Fe5_5—O3_5	73.19 (14)
Fe1_1—O6_1—H2W_1	122 (3)	O1_5—Fe5_5—O3_5	144.81 (14)
H1W_1—O6_1—H2W_1	107 (2)	O4_5—Fe5_5—O3_5	73.27 (13)
Fe1_1—O7_1—H3W_1	145 (2)	C10_5—O1_5—C1_5	113.6 (4)
Fe1_1—O7_1—H4W_1	107 (3)	C10_5—O1_5—Fe5_5	110.9 (3)
H3W_1—O7_1—H4W_1	107 (2)	C1_5—O1_5—Fe5_5	112.9 (3)
O6_1—Fe1_1—O7_1	178.17 (18)	C3_5—O2_5—C2_5	114.9 (4)
O6_1—Fe1_1—O5_1	87.09 (16)	C3_5—O2_5—Fe5_5	112.5 (3)
O7_1—Fe1_1—O5_1	91.70 (15)	C2_5—O2_5—Fe5_5	114.1 (3)
O6_1—Fe1_1—O4_1	92.17 (16)	C4_5—O3_5—C5_5	114.4 (4)
O7_1—Fe1_1—O4_1	88.72 (15)	C4_5—O3_5—Fe5_5	112.6 (3)
O5_1—Fe1_1—O4_1	70.63 (13)	C5_5—O3_5—Fe5_5	110.7 (3)
O6_1—Fe1_1—O3_1	85.10 (15)	C6_5—O4_5—C7_5	113.6 (4)
O7_1—Fe1_1—O3_1	96.69 (15)	C6_5—O4_5—Fe5_5	114.3 (3)
O5_1—Fe1_1—O3_1	143.18 (14)	C7_5—O4_5—Fe5_5	113.2 (3)
O4_1—Fe1_1—O3_1	73.77 (13)	C9_5—O5_5—C8_5	117.7 (4)
O6_1—Fe1_1—O1_1	89.89 (16)	C9_5—O5_5—Fe5_5	120.4 (3)
O7_1—Fe1_1—O1_1	88.41 (15)	C8_5—O5_5—Fe5_5	121.9 (3)
O5_1—Fe1_1—O1_1	70.77 (13)	O1_5—C1_5—C2_5	106.6 (5)
O4_1—Fe1_1—O1_1	141.18 (12)	O1_5—C1_5—H11_5	110.4
O3_1—Fe1_1—O1_1	144.95 (13)	C2_5—C1_5—H11_5	110.4
O6_1—Fe1_1—O2_1	98.79 (16)	O1_5—C1_5—H12_5	110.4
O7_1—Fe1_1—O2_1	81.38 (15)	C2_5—C1_5—H12_5	110.4
O5_1—Fe1_1—O2_1	143.40 (14)	H11_5—C1_5—H12_5	108.6
O4_1—Fe1_1—O2_1	144.25 (13)	O2_5—C2_5—C1_5	106.1 (4)
O3_1—Fe1_1—O2_1	73.42 (13)	O2_5—C2_5—H21_5	110.5
O1_1—Fe1_1—O2_1	73.13 (13)	C1_5—C2_5—H21_5	110.5
C1_1—O1_1—C10_1	112.3 (4)	O2_5—C2_5—H22_5	110.5
C1_1—O1_1—Fe1_1	112.6 (3)	C1_5—C2_5—H22_5	110.5
C10_1—O1_1—Fe1_1	112.3 (3)	H21_5—C2_5—H22_5	108.7
C3_1—O2_1—C2_1	115.0 (4)	O2_5—C3_5—C4_5	105.4 (4)
C3_1—O2_1—Fe1_1	112.6 (3)	O2_5—C3_5—H31_5	110.7
C2_1—O2_1—Fe1_1	113.3 (3)	C4_5—C3_5—H31_5	110.7
C5_1—O3_1—C4_1	114.2 (4)	O2_5—C3_5—H32_5	110.7
C5_1—O3_1—Fe1_1	111.1 (3)	C4_5—C3_5—H32_5	110.7
C4_1—O3_1—Fe1_1	113.3 (3)	H31_5—C3_5—H32_5	108.8
C7_1—O4_1—C6_1	114.5 (4)	O3_5—C4_5—C3_5	106.0 (4)
C7_1—O4_1—Fe1_1	112.4 (3)	O3_5—C4_5—H41_5	110.5
C6_1—O4_1—Fe1_1	113.3 (3)	C3_5—C4_5—H41_5	110.5
C8_1—O5_1—C9_1	117.7 (4)	O3_5—C4_5—H42_5	110.5
C8_1—O5_1—Fe1_1	121.6 (3)	C3_5—C4_5—H42_5	110.5
C9_1—O5_1—Fe1_1	120.5 (3)	H41_5—C4_5—H42_5	108.7
O1_1—C1_1—C2_1	106.8 (5)	O3_5—C5_5—C6_5	105.6 (5)
O1_1—C1_1—H11_1	110.4	O3_5—C5_5—H51_5	110.6
C2_1—C1_1—H11_1	110.4	C6_5—C5_5—H51_5	110.6
O1_1—C1_1—H12_1	110.4	O3_5—C5_5—H52_5	110.6
C2_1—C1_1—H12_1	110.4	C6_5—C5_5—H52_5	110.6
H11_1—C1_1—H12_1	108.6	H51_5—C5_5—H52_5	108.8
O2_1—C2_1—C1_1	105.2 (4)	O4_5—C6_5—C5_5	105.4 (5)
O2_1—C2_1—H21_1	110.7	O4_5—C6_5—H61_5	110.7
C1_1—C2_1—H21_1	110.7	C5_5—C6_5—H61_5	110.7
O2_1—C2_1—H22_1	110.7	O4_5—C6_5—H62_5	110.7
C1_1—C2_1—H22_1	110.7	C5_5—C6_5—H62_5	110.7
H21_1—C2_1—H22_1	108.8	H61_5—C6_5—H62_5	108.8
O2_1—C3_1—C4_1	105.7 (4)	O4_5—C7_5—C8_5	106.8 (5)
O2_1—C3_1—H31_1	110.6	O4_5—C7_5—H71_5	110.4
C4_1—C3_1—H31_1	110.6	C8_5—C7_5—H71_5	110.4
O2_1—C3_1—H32_1	110.6	O4_5—C7_5—H72_5	110.4
C4_1—C3_1—H32_1	110.6	C8_5—C7_5—H72_5	110.4
H31_1—C3_1—H32_1	108.7	H71_5—C7_5—H72_5	108.6
O3_1—C4_1—C3_1	106.5 (4)	O5_5—C8_5—C7_5	106.6 (4)
O3_1—C4_1—H41_1	110.4	O5_5—C8_5—H81_5	110.4
C3_1—C4_1—H41_1	110.4	C7_5—C8_5—H81_5	110.4
O3_1—C4_1—H42_1	110.4	O5_5—C8_5—H82_5	110.4
C3_1—C4_1—H42_1	110.4	C7_5—C8_5—H82_5	110.4
H41_1—C4_1—H42_1	108.6	H81_5—C8_5—H82_5	108.6
O3_1—C5_1—C6_1	106.6 (5)	O5_5—C9_5—C10_5	105.7 (4)
O3_1—C5_1—H51_1	110.4	O5_5—C9_5—H91_5	110.6
C6_1—C5_1—H51_1	110.4	C10_5—C9_5—H91_5	110.6
O3_1—C5_1—H52_1	110.4	O5_5—C9_5—H92_5	110.6
C6_1—C5_1—H52_1	110.4	C10_5—C9_5—H92_5	110.6
H51_1—C5_1—H52_1	108.6	H91_5—C9_5—H92_5	108.7
O4_1—C6_1—C5_1	107.7 (5)	O1_5—C10_5—C9_5	106.0 (4)
O4_1—C6_1—H61_1	110.2	O1_5—C10_5—H101_5	110.5
C5_1—C6_1—H61_1	110.2	C9_5—C10_5—H101_5	110.5
O4_1—C6_1—H62_1	110.2	O1_5—C10_5—H102_5	110.5
C5_1—C6_1—H62_1	110.2	C9_5—C10_5—H102_5	110.5
H61_1—C6_1—H62_1	108.5	H101_5—C10_5—H102_5	108.7
O4_1—C7_1—C8_1	107.3 (5)	Fe6_6—O6_6—H1W_6	122 (3)
O4_1—C7_1—H71_1	110.2	Fe6_6—O6_6—H2W_6	127 (3)
C8_1—C7_1—H71_1	110.2	H1W_6—O6_6—H2W_6	106 (2)
O4_1—C7_1—H72_1	110.2	Fe6_6—O7_6—H3W_6	118 (3)
C8_1—C7_1—H72_1	110.2	Fe6_6—O7_6—H4W_6	137 (3)
H71_1—C7_1—H72_1	108.5	H3W_6—O7_6—H4W_6	104 (2)
O5_1—C8_1—C7_1	105.1 (4)	O6_6—Fe6_6—O7_6	177.19 (16)
O5_1—C8_1—H81_1	110.7	O6_6—Fe6_6—O5_6	86.93 (16)
C7_1—C8_1—H81_1	110.7	O7_6—Fe6_6—O5_6	90.29 (16)
O5_1—C8_1—H82_1	110.7	O6_6—Fe6_6—O3_6	86.11 (15)
C7_1—C8_1—H82_1	110.7	O7_6—Fe6_6—O3_6	96.38 (16)
H81_1—C8_1—H82_1	108.8	O5_6—Fe6_6—O3_6	143.54 (15)
O5_1—C9_1—C10_1	106.4 (4)	O6_6—Fe6_6—O4_6	91.08 (16)
O5_1—C9_1—H91_1	110.4	O7_6—Fe6_6—O4_6	88.36 (16)
C10_1—C9_1—H91_1	110.4	O5_6—Fe6_6—O4_6	70.18 (13)
O5_1—C9_1—H92_1	110.4	O3_6—Fe6_6—O4_6	74.21 (13)
C10_1—C9_1—H92_1	110.4	O6_6—Fe6_6—O2_6	100.79 (16)
H91_1—C9_1—H92_1	108.6	O7_6—Fe6_6—O2_6	81.20 (16)
O1_1—C10_1—C9_1	105.4 (5)	O5_6—Fe6_6—O2_6	143.02 (14)
O1_1—C10_1—H101_1	110.7	O3_6—Fe6_6—O2_6	73.41 (13)
C9_1—C10_1—H101_1	110.7	O4_6—Fe6_6—O2_6	144.52 (13)
O1_1—C10_1—H102_1	110.7	O6_6—Fe6_6—O1_6	89.53 (16)
C9_1—C10_1—H102_1	110.7	O7_6—Fe6_6—O1_6	89.19 (16)
H101_1—C10_1—H102_1	108.8	O5_6—Fe6_6—O1_6	71.25 (13)
Fe2_2—O6_2—H1W_2	123 (3)	O3_6—Fe6_6—O1_6	144.33 (14)
Fe2_2—O6_2—H2W_2	130 (3)	O4_6—Fe6_6—O1_6	141.34 (13)
H1W_2—O6_2—H2W_2	106 (2)	O2_6—Fe6_6—O1_6	72.70 (13)
Fe2_2—O7_2—H3W_2	120 (3)	C1_6—O1_6—C10_6	113.3 (4)
Fe2_2—O7_2—H4W_2	131 (3)	C1_6—O1_6—Fe6_6	112.7 (3)
H3W_2—O7_2—H4W_2	107 (2)	C10_6—O1_6—Fe6_6	111.2 (3)
O7_2—Fe2_2—O6_2	176.57 (15)	C2_6—O2_6—C3_6	115.1 (4)
O7_2—Fe2_2—O2_2	83.96 (15)	C2_6—O2_6—Fe6_6	112.8 (3)
O6_2—Fe2_2—O2_2	99.33 (16)	C3_6—O2_6—Fe6_6	112.0 (3)
O7_2—Fe2_2—O5_2	89.01 (15)	C5_6—O3_6—C4_6	114.7 (4)
O6_2—Fe2_2—O5_2	87.76 (16)	C5_6—O3_6—Fe6_6	110.7 (3)
O2_2—Fe2_2—O5_2	143.30 (14)	C4_6—O3_6—Fe6_6	113.5 (3)
O7_2—Fe2_2—O4_2	87.88 (15)	C7_6—O4_6—C6_6	113.5 (4)
O6_2—Fe2_2—O4_2	89.98 (16)	C7_6—O4_6—Fe6_6	112.5 (3)
O2_2—Fe2_2—O4_2	144.42 (13)	C6_6—O4_6—Fe6_6	112.7 (3)
O5_2—Fe2_2—O4_2	70.73 (13)	C8_6—O5_6—C9_6	118.6 (4)
O7_2—Fe2_2—O3_2	97.12 (15)	C8_6—O5_6—Fe6_6	121.2 (3)
O6_2—Fe2_2—O3_2	84.82 (15)	C9_6—O5_6—Fe6_6	120.1 (3)
O2_2—Fe2_2—O3_2	73.22 (13)	O1_6—C1_6—C2_6	106.1 (5)
O5_2—Fe2_2—O3_2	143.47 (15)	O1_6—C1_6—H11_6	110.5
O4_2—Fe2_2—O3_2	73.54 (13)	C2_6—C1_6—H11_6	110.5
O7_2—Fe2_2—O1_2	90.17 (15)	O1_6—C1_6—H12_6	110.5
O6_2—Fe2_2—O1_2	89.85 (16)	C2_6—C1_6—H12_6	110.5
O2_2—Fe2_2—O1_2	73.21 (13)	H11_6—C1_6—H12_6	108.7
O5_2—Fe2_2—O1_2	70.84 (13)	O2_6—C2_6—C1_6	105.5 (4)
O4_2—Fe2_2—O1_2	141.55 (13)	O2_6—C2_6—H21_6	110.6
O3_2—Fe2_2—O1_2	144.62 (13)	C1_6—C2_6—H21_6	110.6
C1_2—O1_2—C10_2	114.4 (4)	O2_6—C2_6—H22_6	110.6
C1_2—O1_2—Fe2_2	112.1 (3)	C1_6—C2_6—H22_6	110.6
C10_2—O1_2—Fe2_2	111.5 (3)	H21_6—C2_6—H22_6	108.8
C2_2—O2_2—C3_2	114.5 (4)	O2_6—C3_6—C4_6	106.3 (4)
C2_2—O2_2—Fe2_2	114.7 (3)	O2_6—C3_6—H31_6	110.5
C3_2—O2_2—Fe2_2	112.9 (3)	C4_6—C3_6—H31_6	110.5
C4_2—O3_2—C5_2	114.4 (4)	O2_6—C3_6—H32_6	110.5
C4_2—O3_2—Fe2_2	112.1 (3)	C4_6—C3_6—H32_6	110.5
C5_2—O3_2—Fe2_2	110.4 (3)	H31_6—C3_6—H32_6	108.7
C6_2—O4_2—C7_2	112.9 (4)	O3_6—C4_6—C3_6	106.2 (4)
C6_2—O4_2—Fe2_2	113.9 (3)	O3_6—C4_6—H41_6	110.5
C7_2—O4_2—Fe2_2	112.2 (3)	C3_6—C4_6—H41_6	110.5
C9_2—O5_2—C8_2	118.2 (4)	O3_6—C4_6—H42_6	110.5
C9_2—O5_2—Fe2_2	120.4 (3)	C3_6—C4_6—H42_6	110.5
C8_2—O5_2—Fe2_2	121.3 (3)	H41_6—C4_6—H42_6	108.7
O1_2—C1_2—C2_2	107.0 (5)	O3_6—C5_6—C6_6	107.5 (5)
O1_2—C1_2—H11_2	110.3	O3_6—C5_6—H51_6	110.2
C2_2—C1_2—H11_2	110.3	C6_6—C5_6—H51_6	110.2
O1_2—C1_2—H12_2	110.3	O3_6—C5_6—H52_6	110.2
C2_2—C1_2—H12_2	110.3	C6_6—C5_6—H52_6	110.2
H11_2—C1_2—H12_2	108.6	H51_6—C5_6—H52_6	108.5
O2_2—C2_2—C1_2	106.0 (4)	O4_6—C6_6—C5_6	106.4 (5)
O2_2—C2_2—H21_2	110.5	O4_6—C6_6—H61_6	110.4
C1_2—C2_2—H21_2	110.5	C5_6—C6_6—H61_6	110.4
O2_2—C2_2—H22_2	110.5	O4_6—C6_6—H62_6	110.4
C1_2—C2_2—H22_2	110.5	C5_6—C6_6—H62_6	110.4
H21_2—C2_2—H22_2	108.7	H61_6—C6_6—H62_6	108.6
O2_2—C3_2—C4_2	105.7 (4)	O4_6—C7_6—C8_6	106.5 (5)
O2_2—C3_2—H31_2	110.6	O4_6—C7_6—H71_6	110.4
C4_2—C3_2—H31_2	110.6	C8_6—C7_6—H71_6	110.4
O2_2—C3_2—H32_2	110.6	O4_6—C7_6—H72_6	110.4
C4_2—C3_2—H32_2	110.6	C8_6—C7_6—H72_6	110.4
H31_2—C3_2—H32_2	108.7	H71_6—C7_6—H72_6	108.6
O3_2—C4_2—C3_2	105.1 (4)	O5_6—C8_6—C7_6	106.1 (4)
O3_2—C4_2—H41_2	110.7	O5_6—C8_6—H81_6	110.5
C3_2—C4_2—H41_2	110.7	C7_6—C8_6—H81_6	110.5
O3_2—C4_2—H42_2	110.7	O5_6—C8_6—H82_6	110.5
C3_2—C4_2—H42_2	110.7	C7_6—C8_6—H82_6	110.5
H41_2—C4_2—H42_2	108.8	H81_6—C8_6—H82_6	108.7
O3_2—C5_2—C6_2	105.7 (4)	O5_6—C9_6—C10_6	105.7 (5)
O3_2—C5_2—H51_2	110.6	O5_6—C9_6—H91_6	110.6
C6_2—C5_2—H51_2	110.6	C10_6—C9_6—H91_6	110.6
O3_2—C5_2—H52_2	110.6	O5_6—C9_6—H92_6	110.6
C6_2—C5_2—H52_2	110.6	C10_6—C9_6—H92_6	110.6
H51_2—C5_2—H52_2	108.7	H91_6—C9_6—H92_6	108.7
O4_2—C6_2—C5_2	104.9 (4)	O1_6—C10_6—C9_6	107.3 (5)
O4_2—C6_2—H61_2	110.8	O1_6—C10_6—H101_6	110.3
C5_2—C6_2—H61_2	110.8	C9_6—C10_6—H101_6	110.3
O4_2—C6_2—H62_2	110.8	O1_6—C10_6—H102_6	110.3
C5_2—C6_2—H62_2	110.8	C9_6—C10_6—H102_6	110.3
H61_2—C6_2—H62_2	108.8	H101_6—C10_6—H102_6	108.5
O4_2—C7_2—C8_2	106.0 (4)	Fe7_7—O6_7—Fe10_10	4.52 (14)
O4_2—C7_2—H71_2	110.5	Fe7_7—O6_7—H1W_7	131 (3)
C8_2—C7_2—H71_2	110.5	Fe10_10—O6_7—H1W_7	127 (3)
O4_2—C7_2—H72_2	110.5	Fe7_7—O6_7—H2W_7	120 (3)
C8_2—C7_2—H72_2	110.5	Fe10_10—O6_7—H2W_7	124 (3)
H71_2—C7_2—H72_2	108.7	H1W_7—O6_7—H2W_7	105 (2)
O5_2—C8_2—C7_2	106.3 (4)	Fe10_10—O7_7—Fe7_7	5.03 (16)
O5_2—C8_2—H81_2	110.5	Fe10_10—O7_7—H3W_7	125 (3)
C7_2—C8_2—H81_2	110.5	Fe7_7—O7_7—H3W_7	120 (3)
O5_2—C8_2—H82_2	110.5	Fe10_10—O7_7—H4W_7	122 (3)
C7_2—C8_2—H82_2	110.5	Fe7_7—O7_7—H4W_7	127 (3)
H81_2—C8_2—H82_2	108.7	H3W_7—O7_7—H4W_7	105 (2)
O5_2—C9_2—C10_2	106.1 (4)	O7_7—Fe7_7—O6_7	176.3 (2)
O5_2—C9_2—H91_2	110.5	O7_7—Fe7_7—O5_7	85.66 (15)
C10_2—C9_2—H91_2	110.5	O6_7—Fe7_7—O5_7	91.12 (15)
O5_2—C9_2—H92_2	110.5	O7_7—Fe7_7—O2_7	84.02 (16)
C10_2—C9_2—H92_2	110.5	O6_7—Fe7_7—O2_7	99.62 (15)
H91_2—C9_2—H92_2	108.7	O5_7—Fe7_7—O2_7	141.89 (14)
O1_2—C10_2—C9_2	106.7 (5)	O7_7—Fe7_7—O4_7	88.30 (16)
O1_2—C10_2—H101_2	110.4	O6_7—Fe7_7—O4_7	88.97 (17)
C9_2—C10_2—H101_2	110.4	O5_7—Fe7_7—O4_7	71.06 (13)
O1_2—C10_2—H102_2	110.4	O2_7—Fe7_7—O4_7	144.81 (13)
C9_2—C10_2—H102_2	110.4	O7_7—Fe7_7—O3_7	97.35 (15)
H101_2—C10_2—H102_2	108.6	O6_7—Fe7_7—O3_7	84.25 (15)
Fe3_3—O6_3—Fe9_9	4.65 (17)	O5_7—Fe7_7—O3_7	144.61 (15)
Fe3_3—O6_3—H1W_3	125 (3)	O2_7—Fe7_7—O3_7	73.25 (13)
Fe9_9—O6_3—H1W_3	121 (3)	O4_7—Fe7_7—O3_7	73.79 (12)
Fe3_3—O6_3—H2W_3	125 (3)	O7_7—Fe7_7—O1_7	92.21 (15)
Fe9_9—O6_3—H2W_3	130 (3)	O6_7—Fe7_7—O1_7	88.42 (15)
H1W_3—O6_3—H2W_3	106 (2)	O5_7—Fe7_7—O1_7	71.10 (12)
Fe9_9—O7_3—Fe3_3	4.57 (17)	O2_7—Fe7_7—O1_7	72.76 (13)
Fe9_9—O7_3—H3W_3	136 (3)	O4_7—Fe7_7—O1_7	142.00 (13)
Fe3_3—O7_3—H3W_3	131 (3)	O3_7—Fe7_7—O1_7	143.41 (13)
Fe9_9—O7_3—H4W_3	116 (3)	C1_7—O1_7—C10_7	113.7 (4)
Fe3_3—O7_3—H4W_3	120 (3)	C1_7—O1_7—Fe7_7	112.1 (3)
H3W_3—O7_3—H4W_3	106 (2)	C10_7—O1_7—Fe7_7	112.8 (3)
O6_3—Fe3_3—O7_3	177.1 (2)	C2_7—O2_7—C3_7	114.8 (4)
O6_3—Fe3_3—O5_3	89.10 (16)	C2_7—O2_7—Fe7_7	114.2 (3)
O7_3—Fe3_3—O5_3	87.99 (15)	C3_7—O2_7—Fe7_7	112.7 (3)
O6_3—Fe3_3—O3_3	85.71 (15)	C5_7—O3_7—C4_7	113.5 (4)
O7_3—Fe3_3—O3_3	96.69 (16)	C5_7—O3_7—Fe7_7	111.9 (3)
O5_3—Fe3_3—O3_3	144.34 (14)	C4_7—O3_7—Fe7_7	112.5 (3)
O6_3—Fe3_3—O4_3	89.79 (16)	C6_7—O4_7—C7_7	113.2 (4)
O7_3—Fe3_3—O4_3	89.31 (16)	C6_7—O4_7—Fe7_7	113.3 (3)
O5_3—Fe3_3—O4_3	70.59 (13)	C7_7—O4_7—Fe7_7	111.1 (3)
O3_3—Fe3_3—O4_3	74.13 (12)	C9_7—O5_7—C8_7	117.8 (4)
O6_3—Fe3_3—O1_3	88.56 (16)	C9_7—O5_7—Fe7_7	118.5 (3)
O7_3—Fe3_3—O1_3	90.47 (16)	C8_7—O5_7—Fe7_7	120.4 (3)
O5_3—Fe3_3—O1_3	71.69 (12)	O1_7—C1_7—C2_7	107.6 (4)
O3_3—Fe3_3—O1_3	143.18 (13)	O1_7—C1_7—H11_7	110.2
O4_3—Fe3_3—O1_3	142.26 (12)	C2_7—C1_7—H11_7	110.2
O6_3—Fe3_3—O2_3	101.41 (16)	O1_7—C1_7—H12_7	110.2
O7_3—Fe3_3—O2_3	80.90 (15)	C2_7—C1_7—H12_7	110.2
O5_3—Fe3_3—O2_3	142.56 (14)	H11_7—C1_7—H12_7	108.5
O3_3—Fe3_3—O2_3	72.83 (12)	H6A_10—C1_7—H6B_10	87.6
O4_3—Fe3_3—O2_3	144.07 (13)	O2_7—C2_7—C1_7	105.7 (4)
O1_3—Fe3_3—O2_3	72.76 (12)	O2_7—C2_7—H21_7	110.6
C1_3—O1_3—C10_3	113.4 (4)	C1_7—C2_7—H21_7	110.6
C1_3—O1_3—Fe3_3	112.9 (3)	O2_7—C2_7—H22_7	110.6
C10_3—O1_3—Fe3_3	111.9 (3)	C1_7—C2_7—H22_7	110.6
C2_3—O2_3—C3_3	114.1 (4)	H21_7—C2_7—H22_7	108.7
C2_3—O2_3—Fe3_3	113.2 (3)	O2_7—C3_7—C4_7	106.3 (4)
C3_3—O2_3—Fe3_3	112.7 (3)	O2_7—C3_7—H31_7	110.5
C5_3—O3_3—C4_3	113.9 (4)	C4_7—C3_7—H31_7	110.5
C5_3—O3_3—Fe3_3	111.1 (3)	O2_7—C3_7—H32_7	110.5
C4_3—O3_3—Fe3_3	113.8 (3)	C4_7—C3_7—H32_7	110.5
C6_3—O4_3—C7_3	113.8 (4)	H31_7—C3_7—H32_7	108.7
C6_3—O4_3—Fe3_3	112.8 (3)	H8A_10—C3_7—H8B_10	99.8
C7_3—O4_3—Fe3_3	111.8 (3)	O3_7—C4_7—C3_7	104.7 (4)
C9_3—O5_3—C8_3	116.9 (4)	O3_7—C4_7—H41_7	110.8
C9_3—O5_3—Fe3_3	119.7 (3)	C3_7—C4_7—H41_7	110.8
C8_3—O5_3—Fe3_3	121.4 (3)	O3_7—C4_7—H42_7	110.8
O1_3—C1_3—C2_3	106.6 (4)	C3_7—C4_7—H42_7	110.8
O1_3—C1_3—H11_3	110.4	H41_7—C4_7—H42_7	108.9
C2_3—C1_3—H11_3	110.4	H9A_10—C4_7—H9B_10	115.5
O1_3—C1_3—H12_3	110.4	O3_7—C5_7—C6_7	106.0 (4)
C2_3—C1_3—H12_3	110.4	O3_7—C5_7—H51_7	110.5
H11_3—C1_3—H12_3	108.6	C6_7—C5_7—H51_7	110.5
H6A_9—C1_3—H6B_9	92.9	O3_7—C5_7—H52_7	110.5
O2_3—C2_3—C1_3	105.6 (4)	C6_7—C5_7—H52_7	110.5
O2_3—C2_3—H21_3	110.6	H51_7—C5_7—H52_7	108.7
C1_3—C2_3—H21_3	110.6	O4_7—C6_7—C5_7	105.6 (4)
O2_3—C2_3—H22_3	110.6	O4_7—C6_7—H61_7	110.6
C1_3—C2_3—H22_3	110.6	C5_7—C6_7—H61_7	110.6
H21_3—C2_3—H22_3	108.7	O4_7—C6_7—H62_7	110.6
O2_3—C3_3—C4_3	106.3 (4)	C5_7—C6_7—H62_7	110.6
O2_3—C3_3—H31_3	110.5	H61_7—C6_7—H62_7	108.8
C4_3—C3_3—H31_3	110.5	H1A_10—C6_7—H1B_10	90.1
O2_3—C3_3—H32_3	110.5	O4_7—C7_7—C8_7	107.5 (4)
C4_3—C3_3—H32_3	110.5	O4_7—C7_7—H71_7	110.2
H31_3—C3_3—H32_3	108.7	C8_7—C7_7—H71_7	110.2
H8A_9—C3_3—H8B_9	102.1	O4_7—C7_7—H72_7	110.2
O3_3—C4_3—C3_3	106.3 (4)	C8_7—C7_7—H72_7	110.2
O3_3—C4_3—H41_3	110.5	H71_7—C7_7—H72_7	108.5
C3_3—C4_3—H41_3	110.5	O5_7—C8_7—C7_7	107.4 (4)
O3_3—C4_3—H42_3	110.5	O5_7—C8_7—H81_7	110.2
C3_3—C4_3—H42_3	110.5	C7_7—C8_7—H81_7	110.2
H41_3—C4_3—H42_3	108.7	O5_7—C8_7—H82_7	110.2
H9A_9—C4_3—H9B_9	113.2	C7_7—C8_7—H82_7	110.2
O3_3—C5_3—C6_3	106.1 (4)	H81_7—C8_7—H82_7	108.5
O3_3—C5_3—H51_3	110.5	H3A_10—C8_7—H3B_10	79.3
C6_3—C5_3—H51_3	110.5	O5_7—C9_7—C10_7	105.7 (4)
O3_3—C5_3—H52_3	110.5	O5_7—C9_7—H91_7	110.6
C6_3—C5_3—H52_3	110.5	C10_7—C9_7—H91_7	110.6
H51_3—C5_3—H52_3	108.7	O5_7—C9_7—H92_7	110.6
O4_3—C6_3—C5_3	106.9 (4)	C10_7—C9_7—H92_7	110.6
O4_3—C6_3—H61_3	110.3	H91_7—C9_7—H92_7	108.7
C5_3—C6_3—H61_3	110.3	H4A_10—C9_7—H4B_10	91.6
O4_3—C6_3—H62_3	110.3	O1_7—C10_7—C9_7	105.6 (4)
C5_3—C6_3—H62_3	110.3	O1_7—C10_7—H101_7	110.6
H61_3—C6_3—H62_3	108.6	C9_7—C10_7—H101_7	110.6
H1A_9—C6_3—H1B_9	84.0	O1_7—C10_7—H102_7	110.6
O4_3—C7_3—C8_3	107.6 (4)	C9_7—C10_7—H102_7	110.6
O4_3—C7_3—H71_3	110.2	H101_7—C10_7—H102_7	108.8
C8_3—C7_3—H71_3	110.2	O7_7—Fe10_10—O5_10	86.9 (3)
O4_3—C7_3—H72_3	110.2	O7_7—Fe10_10—O3_10	88.3 (3)
C8_3—C7_3—H72_3	110.2	O5_10—Fe10_10—O3_10	143.0
H71_3—C7_3—H72_3	108.5	O7_7—Fe10_10—O2_10	97.2 (3)
O5_3—C8_3—C7_3	106.3 (4)	O5_10—Fe10_10—O2_10	143.9
O5_3—C8_3—H81_3	110.5	O3_10—Fe10_10—O2_10	73.1
C7_3—C8_3—H81_3	110.5	O7_7—Fe10_10—O1_10	87.4 (3)
O5_3—C8_3—H82_3	110.5	O5_10—Fe10_10—O1_10	72.6
C7_3—C8_3—H82_3	110.5	O3_10—Fe10_10—O1_10	143.7
H81_3—C8_3—H82_3	108.7	O2_10—Fe10_10—O1_10	71.8
H3A_9—C8_3—H3B_9	85.7	O7_7—Fe10_10—O4_10	91.7 (3)
O5_3—C9_3—C10_3	104.9 (4)	O5_10—Fe10_10—O4_10	70.3
O5_3—C9_3—H91_3	110.8	O3_10—Fe10_10—O4_10	73.2
C10_3—C9_3—H91_3	110.8	O2_10—Fe10_10—O4_10	144.8
O5_3—C9_3—H92_3	110.8	O1_10—Fe10_10—O4_10	142.9
C10_3—C9_3—H92_3	110.8	O7_7—Fe10_10—O6_7	173.0 (3)
H91_3—C9_3—H92_3	108.8	O5_10—Fe10_10—O6_7	86.9 (3)
H4A_9—C9_3—H4B_9	86.8	O3_10—Fe10_10—O6_7	98.6 (3)
O1_3—C10_3—C9_3	108.2 (4)	O2_10—Fe10_10—O6_7	85.9 (3)
O1_3—C10_3—H101_3	110.1	O1_10—Fe10_10—O6_7	87.6 (3)
C9_3—C10_3—H101_3	110.1	O4_10—Fe10_10—O6_7	89.3 (3)
O1_3—C10_3—H102_3	110.1	C10_10—O1_10—C1_10	114.6
C9_3—C10_3—H102_3	110.1	C10_10—O1_10—Fe10_10	111.2
H101_3—C10_3—H102_3	108.4	C1_10—O1_10—Fe10_10	113.5
O6_3—Fe9_9—O5_9	87.8 (3)	C3_10—O2_10—C2_10	112.2
O6_3—Fe9_9—O7_3	173.7 (4)	C3_10—O2_10—Fe10_10	116.4
O5_9—Fe9_9—O7_3	85.9 (4)	C2_10—O2_10—Fe10_10	118.7
O6_3—Fe9_9—O3_9	97.5 (3)	C4_10—O3_10—C5_10	114.9
O5_9—Fe9_9—O3_9	142.9	C4_10—O3_10—Fe10_10	114.7
O7_3—Fe9_9—O3_9	87.7 (4)	C5_10—O3_10—Fe10_10	113.7
O6_3—Fe9_9—O2_9	85.9 (4)	C6_10—O4_10—C7_10	112.1
O5_9—Fe9_9—O2_9	144.3	C6_10—O4_10—Fe10_10	113.8
O7_3—Fe9_9—O2_9	99.1 (4)	C7_10—O4_10—Fe10_10	114.2
O3_9—Fe9_9—O2_9	72.8	C9_10—O5_10—C8_10	115.8
O6_3—Fe9_9—O1_9	88.6 (4)	C9_10—O5_10—Fe10_10	120.9
O5_9—Fe9_9—O1_9	73.6	C8_10—O5_10—Fe10_10	123.1
O7_3—Fe9_9—O1_9	89.3 (4)	O1_10—C1_10—C2_10	105.8
O3_9—Fe9_9—O1_9	142.9	O1_10—C1_10—H1A_10	110.9
O2_9—Fe9_9—O1_9	71.1	C2_10—C1_10—H1A_10	109.5
O6_3—Fe9_9—O4_9	89.8 (4)	O1_10—C1_10—H1B_10	111.1
O5_9—Fe9_9—O4_9	70.7	C2_10—C1_10—H1B_10	110.5
O7_3—Fe9_9—O4_9	88.5 (4)	H1A_10—C1_10—H1B_10	108.9
O3_9—Fe9_9—O4_9	72.7	O2_10—C2_10—C1_10	104.6
O2_9—Fe9_9—O4_9	144.3	O2_10—C2_10—H2A_10	111.2
O1_9—Fe9_9—O4_9	144.2	C1_10—C2_10—H2A_10	110.2
C10_9—O1_9—C1_9	112.7	O2_10—C2_10—H2B_10	110.7
C10_9—O1_9—Fe9_9	111.3	C1_10—C2_10—H2B_10	110.7
C1_9—O1_9—Fe9_9	114.7	H2A_10—C2_10—H2B_10	109.4
C3_9—O2_9—C2_9	115.3	O2_10—C3_10—C4_10	104.9
C3_9—O2_9—Fe9_9	115.8	O2_10—C3_10—H3A_10	110.3
C2_9—O2_9—Fe9_9	117.3	C4_10—C3_10—H3A_10	110.8
C5_9—O3_9—C4_9	114.7	O2_10—C3_10—H3B_10	110.2
C5_9—O3_9—Fe9_9	114.8	C4_10—C3_10—H3B_10	111.1
C4_9—O3_9—Fe9_9	114.4	H3A_10—C3_10—H3B_10	109.5
C6_9—O4_9—C7_9	115.0	O3_10—C4_10—C3_10	106.4
C6_9—O4_9—Fe9_9	114.9	O3_10—C4_10—H4A_10	111.4
C7_9—O4_9—Fe9_9	112.5	C3_10—C4_10—H4A_10	110.6
C9_9—O5_9—C8_9	117.8	O3_10—C4_10—H4B_10	109.7
C9_9—O5_9—Fe9_9	119.6	C3_10—C4_10—H4B_10	109.9
C8_9—O5_9—Fe9_9	122.5	H4A_10—C4_10—H4B_10	108.8
O1_9—C1_9—C2_9	106.9	O3_10—C5_10—C6_10	105.6
O1_9—C1_9—H1A_9	110.9	O3_10—C5_10—H5A_10	110.4
C2_9—C1_9—H1A_9	110.2	C6_10—C5_10—H5A_10	109.7
O1_9—C1_9—H1B_9	110.6	O3_10—C5_10—H5B_10	110.7
C2_9—C1_9—H1B_9	109.2	C6_10—C5_10—H5B_10	111.7
H1A_9—C1_9—H1B_9	108.9	H5A_10—C5_10—H5B_10	108.7
C1_9—C2_9—O2_9	105.0	O4_10—C6_10—C5_10	105.5
C1_9—C2_9—H2A_9	110.5	O4_10—C6_10—H6A_10	110.4
O2_9—C2_9—H2A_9	110.7	C5_10—C6_10—H6A_10	110.9
C1_9—C2_9—H2B_9	110.2	O4_10—C6_10—H6B_10	110.2
O2_9—C2_9—H2B_9	111.1	C5_10—C6_10—H6B_10	111.4
H2A_9—C2_9—H2B_9	109.3	H6A_10—C6_10—H6B_10	108.5
O2_9—C3_9—C4_9	104.9	O4_10—C7_10—C8_10	104.9
O2_9—C3_9—H3A_9	110.2	O4_10—C7_10—H7A_10	111.5
C4_9—C3_9—H3A_9	111.0	C8_10—C7_10—H7A_10	110.4
O2_9—C3_9—H3B_9	110.3	O4_10—C7_10—H7B_10	111.0
C4_9—C3_9—H3B_9	110.9	C8_10—C7_10—H7B_10	110.7
H3A_9—C3_9—H3B_9	109.6	H7A_10—C7_10—H7B_10	108.3
O3_9—C4_9—C3_9	106.8	O5_10—C8_10—C7_10	107.6
O3_9—C4_9—H4A_9	109.6	O5_10—C8_10—H8A_10	109.9
C3_9—C4_9—H4A_9	109.9	C7_10—C8_10—H8A_10	110.0
O3_9—C4_9—H4B_9	111.3	O5_10—C8_10—H8B_10	110.9
C3_9—C4_9—H4B_9	110.6	C7_10—C8_10—H8B_10	108.9
H4A_9—C4_9—H4B_9	108.6	H8A_10—C8_10—H8B_10	109.6
O3_9—C5_9—C6_9	106.8	O5_10—C9_10—C10_10	106.3
O3_9—C5_9—H5A_9	110.5	O5_10—C9_10—H9A_10	110.5
C6_9—C5_9—H5A_9	111.4	C10_10—C9_10—H9A_10	111.1
O3_9—C5_9—H5B_9	110.1	O5_10—C9_10—H9B_10	109.3
C6_9—C5_9—H5B_9	109.4	C10_10—C9_10—H9B_10	110.7
H5A_9—C5_9—H5B_9	108.6	H9A_10—C9_10—H9B_10	109.1
O4_9—C6_9—C5_9	105.3	O1_10—C10_10—C9_10	107.3
O4_9—C6_9—H6A_9	110.2	O1_10—C10_10—H10A_10	110.2
C5_9—C6_9—H6A_9	111.5	C9_10—C10_10—H10A_10	110.8
O4_9—C6_9—H6B_9	110.4	O1_10—C10_10—H10B_10	109.1
C5_9—C6_9—H6B_9	110.8	C9_10—C10_10—H10B_10	110.5
H6A_9—C6_9—H6B_9	108.6	H10A_10—C10_10—H10B_10	108.9
C8_9—C7_9—O4_9	107.0	Fe8_8—O6_8—H1W_8	123 (3)
C8_9—C7_9—H7A_9	110.2	Fe8_8—O6_8—H2W_8	128 (3)
O4_9—C7_9—H7A_9	110.5	H1W_8—O6_8—H2W_8	106 (2)
C8_9—C7_9—H7B_9	110.0	Fe8_8—O7_8—H3W_8	118 (3)
O4_9—C7_9—H7B_9	111.0	Fe8_8—O7_8—H4W_8	130 (3)
H7A_9—C7_9—H7B_9	108.0	H3W_8—O7_8—H4W_8	105 (2)
C7_9—C8_9—O5_9	107.7	O7_8—Fe8_8—O6_8	177.08 (17)
C7_9—C8_9—H8A_9	108.8	O7_8—Fe8_8—O5_8	89.33 (16)
O5_9—C8_9—H8A_9	110.8	O6_8—Fe8_8—O5_8	87.77 (16)
C7_9—C8_9—H8B_9	110.0	O7_8—Fe8_8—O1_8	90.29 (16)
O5_9—C8_9—H8B_9	109.8	O6_8—Fe8_8—O1_8	89.07 (16)
H8A_9—C8_9—H8B_9	109.6	O5_8—Fe8_8—O1_8	71.73 (13)
O5_9—C9_9—C10_9	107.4	O7_8—Fe8_8—O3_8	97.18 (16)
O5_9—C9_9—H9A_9	109.0	O6_8—Fe8_8—O3_8	84.99 (15)
C10_9—C9_9—H9A_9	110.4	O5_8—Fe8_8—O3_8	142.97 (15)
O5_9—C9_9—H9B_9	110.3	O1_8—Fe8_8—O3_8	144.14 (13)
C10_9—C9_9—H9B_9	110.8	O7_8—Fe8_8—O2_8	82.72 (16)
H9A_9—C9_9—H9B_9	108.8	O6_8—Fe8_8—O2_8	99.81 (17)
O1_9—C10_9—C9_9	104.9	O5_8—Fe8_8—O2_8	143.91 (14)
O1_9—C10_9—H10A_9	109.6	O1_8—Fe8_8—O2_8	73.16 (13)
C9_9—C10_9—H10A_9	110.9	O3_8—Fe8_8—O2_8	73.10 (13)
O1_9—C10_9—H10B_9	110.8	O7_8—Fe8_8—O4_8	89.34 (16)
C9_9—C10_9—H10B_9	111.4	O6_8—Fe8_8—O4_8	89.42 (17)
H10A_9—C10_9—H10B_9	109.3	O5_8—Fe8_8—O4_8	70.41 (13)
Fe4_4—O6_4—H1W_4	120 (3)	O1_8—Fe8_8—O4_8	142.14 (13)
Fe4_4—O6_4—H2W_4	127 (3)	O3_8—Fe8_8—O4_8	73.25 (13)
H1W_4—O6_4—H2W_4	106 (2)	O2_8—Fe8_8—O4_8	144.08 (13)
Fe4_4—O7_4—H3W_4	138 (3)	C10_8—O1_8—C1_8	111.7 (4)
Fe4_4—O7_4—H4W_4	117 (3)	C10_8—O1_8—Fe8_8	112.5 (3)
H3W_4—O7_4—H4W_4	104 (2)	C1_8—O1_8—Fe8_8	112.9 (3)
O6_4—Fe4_4—O7_4	179.21 (17)	C2_8—O2_8—C3_8	114.6 (4)
O6_4—Fe4_4—O5_4	90.50 (15)	C2_8—O2_8—Fe8_8	114.4 (3)
O7_4—Fe4_4—O5_4	88.91 (15)	C3_8—O2_8—Fe8_8	113.3 (3)
O6_4—Fe4_4—O2_4	97.57 (15)	C5_8—O3_8—C4_8	113.3 (4)
O7_4—Fe4_4—O2_4	82.59 (15)	C5_8—O3_8—Fe8_8	111.9 (3)
O5_4—Fe4_4—O2_4	143.31 (14)	C4_8—O3_8—Fe8_8	113.6 (3)
O6_4—Fe4_4—O3_4	83.48 (15)	C6_8—O4_8—C7_8	114.1 (4)
O7_4—Fe4_4—O3_4	97.30 (15)	C6_8—O4_8—Fe8_8	112.6 (3)
O5_4—Fe4_4—O3_4	143.12 (14)	C7_8—O4_8—Fe8_8	112.5 (3)
O2_4—Fe4_4—O3_4	73.54 (13)	C9_8—O5_8—C8_8	118.5 (4)
O6_4—Fe4_4—O4_4	90.85 (16)	C9_8—O5_8—Fe8_8	119.0 (3)
O7_4—Fe4_4—O4_4	89.46 (16)	C8_8—O5_8—Fe8_8	122.0 (3)
O5_4—Fe4_4—O4_4	70.64 (13)	O1_8—C1_8—C2_8	106.4 (5)
O2_4—Fe4_4—O4_4	144.34 (13)	O1_8—C1_8—H11_8	110.4
O3_4—Fe4_4—O4_4	73.10 (13)	C2_8—C1_8—H11_8	110.4
O6_4—Fe4_4—O1_4	89.03 (16)	O1_8—C1_8—H12_8	110.4
O7_4—Fe4_4—O1_4	90.27 (15)	C2_8—C1_8—H12_8	110.4
O5_4—Fe4_4—O1_4	71.46 (13)	H11_8—C1_8—H12_8	108.6
O2_4—Fe4_4—O1_4	72.95 (13)	O2_8—C2_8—C1_8	105.6 (4)
O3_4—Fe4_4—O1_4	144.30 (13)	O2_8—C2_8—H21_8	110.6
O4_4—Fe4_4—O1_4	142.10 (13)	C1_8—C2_8—H21_8	110.6
C10_4—O1_4—C1_4	111.6 (4)	O2_8—C2_8—H22_8	110.6
C10_4—O1_4—Fe4_4	113.2 (3)	C1_8—C2_8—H22_8	110.6
C1_4—O1_4—Fe4_4	113.3 (3)	H21_8—C2_8—H22_8	108.7
C3_4—O2_4—C2_4	113.7 (4)	O2_8—C3_8—C4_8	105.8 (4)
C3_4—O2_4—Fe4_4	114.2 (3)	O2_8—C3_8—H31_8	110.6
C2_4—O2_4—Fe4_4	114.2 (3)	C4_8—C3_8—H31_8	110.6
C5_4—O3_4—C4_4	114.7 (4)	O2_8—C3_8—H32_8	110.6
C5_4—O3_4—Fe4_4	112.9 (3)	C4_8—C3_8—H32_8	110.6
C4_4—O3_4—Fe4_4	112.3 (3)	H31_8—C3_8—H32_8	108.7
C7_4—O4_4—C6_4	113.7 (4)	O3_8—C4_8—C3_8	106.2 (4)
C7_4—O4_4—Fe4_4	112.3 (3)	O3_8—C4_8—H41_8	110.5
C6_4—O4_4—Fe4_4	112.9 (3)	C3_8—C4_8—H41_8	110.5
C8_4—O5_4—C9_4	118.3 (4)	O3_8—C4_8—H42_8	110.5
C8_4—O5_4—Fe4_4	121.3 (3)	C3_8—C4_8—H42_8	110.5
C9_4—O5_4—Fe4_4	119.8 (3)	H41_8—C4_8—H42_8	108.7
O1_4—C1_4—C2_4	105.5 (4)	O3_8—C5_8—C6_8	105.2 (5)
O1_4—C1_4—H11_4	110.6	O3_8—C5_8—H51_8	110.7
C2_4—C1_4—H11_4	110.6	C6_8—C5_8—H51_8	110.7
O1_4—C1_4—H12_4	110.6	O3_8—C5_8—H52_8	110.7
C2_4—C1_4—H12_4	110.6	C6_8—C5_8—H52_8	110.7
H11_4—C1_4—H12_4	108.8	H51_8—C5_8—H52_8	108.8
O2_4—C2_4—C1_4	105.3 (4)	O4_8—C6_8—C5_8	106.9 (5)
O2_4—C2_4—H21_4	110.7	O4_8—C6_8—H61_8	110.4
C1_4—C2_4—H21_4	110.7	C5_8—C6_8—H61_8	110.4
O2_4—C2_4—H22_4	110.7	O4_8—C6_8—H62_8	110.4
C1_4—C2_4—H22_4	110.7	C5_8—C6_8—H62_8	110.4
H21_4—C2_4—H22_4	108.8	H61_8—C6_8—H62_8	108.6
O2_4—C3_4—C4_4	105.1 (4)	O4_8—C7_8—C8_8	106.1 (4)
O2_4—C3_4—H31_4	110.7	O4_8—C7_8—H71_8	110.5
C4_4—C3_4—H31_4	110.7	C8_8—C7_8—H71_8	110.5
O2_4—C3_4—H32_4	110.7	O4_8—C7_8—H72_8	110.5
C4_4—C3_4—H32_4	110.7	C8_8—C7_8—H72_8	110.5
H31_4—C3_4—H32_4	108.8	H71_8—C7_8—H72_8	108.7
O3_4—C4_4—C3_4	106.8 (4)	O5_8—C8_8—C7_8	106.6 (4)
O3_4—C4_4—H41_4	110.4	O5_8—C8_8—H81_8	110.4
C3_4—C4_4—H41_4	110.4	C7_8—C8_8—H81_8	110.4
O3_4—C4_4—H42_4	110.4	O5_8—C8_8—H82_8	110.4
C3_4—C4_4—H42_4	110.4	C7_8—C8_8—H82_8	110.4
H41_4—C4_4—H42_4	108.6	H81_8—C8_8—H82_8	108.6
O3_4—C5_4—C6_4	106.4 (4)	O5_8—C9_8—C10_8	105.8 (4)
O3_4—C5_4—H51_4	110.4	O5_8—C9_8—H91_8	110.6
C6_4—C5_4—H51_4	110.4	C10_8—C9_8—H91_8	110.6
O3_4—C5_4—H52_4	110.4	O5_8—C9_8—H92_8	110.6
C6_4—C5_4—H52_4	110.4	C10_8—C9_8—H92_8	110.6
H51_4—C5_4—H52_4	108.6	H91_8—C9_8—H92_8	108.7
O4_4—C6_4—C5_4	108.1 (5)	O1_8—C10_8—C9_8	105.2 (4)
O4_4—C6_4—H61_4	110.1	O1_8—C10_8—H101_8	110.7
C5_4—C6_4—H61_4	110.1	C9_8—C10_8—H101_8	110.7
O4_4—C6_4—H62_4	110.1	O1_8—C10_8—H102_8	110.7
C5_4—C6_4—H62_4	110.1	C9_8—C10_8—H102_8	110.7
H61_4—C6_4—H62_4	108.4	H101_8—C10_8—H102_8	108.8
O4_4—C7_4—C8_4	106.6 (5)	O8_11—N1_11—O10_11	124.4 (5)
O4_4—C7_4—H71_4	110.4	O8_11—N1_11—O9_11	118.7 (5)
C8_4—C7_4—H71_4	110.4	O10_11—N1_11—O9_11	116.8 (5)
O4_4—C7_4—H72_4	110.4	O8_12—N2_12—O10_12	123.4 (5)
C8_4—C7_4—H72_4	110.4	O8_12—N2_12—O9_12	120.0 (4)
H71_4—C7_4—H72_4	108.6	O10_12—N2_12—O9_12	116.6 (4)
O5_4—C8_4—C7_4	106.1 (4)	O8_13—N3_13—O10_13	121.9 (5)
O5_4—C8_4—H81_4	110.5	O8_13—N3_13—O9_13	119.9 (5)
C7_4—C8_4—H81_4	110.5	O10_13—N3_13—O9_13	118.1 (5)
O5_4—C8_4—H82_4	110.5	O8_14—N4_14—O10_14	125.7 (5)
C7_4—C8_4—H82_4	110.5	O8_14—N4_14—O9_14	118.3 (5)
H81_4—C8_4—H82_4	108.7	O10_14—N4_14—O9_14	116.0 (5)
O5_4—C9_4—C10_4	105.4 (4)	O8_15—N5_15—O10_15	121.4 (5)
O5_4—C9_4—H91_4	110.7	O8_15—N5_15—O9_15	121.5 (4)
C10_4—C9_4—H91_4	110.7	O10_15—N5_15—O9_15	117.0 (4)
O5_4—C9_4—H92_4	110.7	O8_16—N6_16—O10_16	124.2 (5)
C10_4—C9_4—H92_4	110.7	O8_16—N6_16—O9_16	117.5 (5)
H91_4—C9_4—H92_4	108.8	O10_16—N6_16—O9_16	118.3 (5)
O1_4—C10_4—C9_4	105.3 (4)	O8_17—N7_17—O10_17	124.2 (4)
O1_4—C10_4—H101_4	110.7	O8_17—N7_17—O9_17	118.7 (4)
C9_4—C10_4—H101_4	110.7	O10_17—N7_17—O9_17	117.1 (4)
O1_4—C10_4—H102_4	110.7	O8_18—N8_18—O10_18	121.9 (5)
C9_4—C10_4—H102_4	110.7	O8_18—N8_18—O9_18	121.0 (4)
H101_4—C10_4—H102_4	108.8	O10_18—N8_18—O9_18	117.0 (5)
Fe5_5—O6_5—H1W_5	129 (3)	O10_19—N9_19—O9_19	124.2 (5)
Fe5_5—O6_5—H2W_5	120 (3)	O10_19—N9_19—O8_19	119.6 (5)
H1W_5—O6_5—H2W_5	109 (2)	O9_19—N9_19—O8_19	116.2 (4)
Fe5_5—O7_5—H3W_5	117 (3)	O9_20—N10_20—O10_20	123.2 (5)
Fe5_5—O7_5—H4W_5	125 (3)	O9_20—N10_20—O8_20	119.8 (5)
H3W_5—O7_5—H4W_5	109 (2)	O10_20—N10_20—O8_20	117.0 (5)
O7_5—Fe5_5—O6_5	176.84 (16)	O10_21—N11_21—O9_21	123.0 (5)
O7_5—Fe5_5—O5_5	90.67 (16)	O10_21—N11_21—O8_21	120.1 (5)
O6_5—Fe5_5—O5_5	86.18 (16)	O9_21—N11_21—O8_21	116.8 (4)
O7_5—Fe5_5—O2_5	83.06 (16)	O10_22—N12_22—O9_22	124.3 (5)
O6_5—Fe5_5—O2_5	99.61 (16)	O10_22—N12_22—O8_22	118.6 (5)
O5_5—Fe5_5—O2_5	143.82 (14)	O9_22—N12_22—O8_22	117.1 (4)
O7_5—Fe5_5—O1_5	89.04 (16)	O9_23—N13_23—O10_23	122.1 (5)
O6_5—Fe5_5—O1_5	90.11 (16)	O9_23—N13_23—O8_23	118.6 (5)
O5_5—Fe5_5—O1_5	71.19 (13)	O10_23—N13_23—O8_23	119.2 (5)
O2_5—Fe5_5—O1_5	73.10 (13)	O10_24—N14_24—O9_24	123.7 (5)
O7_5—Fe5_5—O4_5	88.17 (16)	O10_24—N14_24—O8_24	120.1 (5)
O6_5—Fe5_5—O4_5	90.61 (17)	O9_24—N14_24—O8_24	116.2 (4)
O5_5—Fe5_5—O4_5	70.76 (13)	O10_25—N15_25—O9_25	123.2 (5)
O2_5—Fe5_5—O4_5	144.00 (13)	O10_25—N15_25—O8_25	117.5 (4)
O1_5—Fe5_5—O4_5	141.80 (12)	O9_25—N15_25—O8_25	119.2 (4)
O7_5—Fe5_5—O3_5	96.68 (16)	O10_26—N16_26—O9_26	122.2 (5)
O6_5—Fe5_5—O3_5	85.75 (15)	O10_26—N16_26—O8_26	120.2 (5)
O5_5—Fe5_5—O3_5	142.98 (15)	O9_26—N16_26—O8_26	117.6 (5)
O6_1—Fe1_1—O1_1—C1_1	115.3 (3)	O7_5—Fe5_5—O1_5—C10_5	−61.4 (3)
O7_1—Fe1_1—O1_1—C1_1	−65.4 (3)	O6_5—Fe5_5—O1_5—C10_5	115.6 (3)
O5_1—Fe1_1—O1_1—C1_1	−157.8 (4)	O5_5—Fe5_5—O1_5—C10_5	29.7 (3)
O4_1—Fe1_1—O1_1—C1_1	−151.4 (3)	O2_5—Fe5_5—O1_5—C10_5	−144.4 (4)
O3_1—Fe1_1—O1_1—C1_1	34.0 (5)	O4_5—Fe5_5—O1_5—C10_5	24.5 (5)
O2_1—Fe1_1—O1_1—C1_1	16.1 (3)	O3_5—Fe5_5—O1_5—C10_5	−161.6 (3)
O6_1—Fe1_1—O1_1—C10_1	−116.8 (4)	O7_5—Fe5_5—O1_5—C1_5	67.4 (3)
O7_1—Fe1_1—O1_1—C10_1	62.5 (4)	O6_5—Fe5_5—O1_5—C1_5	−115.6 (3)
O5_1—Fe1_1—O1_1—C10_1	−29.8 (3)	O5_5—Fe5_5—O1_5—C1_5	158.5 (4)
O4_1—Fe1_1—O1_1—C10_1	−23.5 (5)	O2_5—Fe5_5—O1_5—C1_5	−15.6 (3)
O3_1—Fe1_1—O1_1—C10_1	161.9 (3)	O4_5—Fe5_5—O1_5—C1_5	153.3 (3)
O2_1—Fe1_1—O1_1—C10_1	144.0 (4)	O3_5—Fe5_5—O1_5—C1_5	−32.8 (5)
O6_1—Fe1_1—O2_1—C3_1	62.9 (4)	O7_5—Fe5_5—O2_5—C3_5	119.0 (3)
O7_1—Fe1_1—O2_1—C3_1	−118.9 (4)	O6_5—Fe5_5—O2_5—C3_5	−62.7 (3)
O5_1—Fe1_1—O2_1—C3_1	159.9 (3)	O5_5—Fe5_5—O2_5—C3_5	−159.5 (3)
O4_1—Fe1_1—O2_1—C3_1	−43.4 (5)	O1_5—Fe5_5—O2_5—C3_5	−149.9 (4)
O3_1—Fe1_1—O2_1—C3_1	−19.3 (3)	O4_5—Fe5_5—O2_5—C3_5	41.8 (5)
O1_1—Fe1_1—O2_1—C3_1	150.1 (4)	O3_5—Fe5_5—O2_5—C3_5	19.8 (3)
O6_1—Fe1_1—O2_1—C2_1	−69.7 (4)	O7_5—Fe5_5—O2_5—C2_5	−107.9 (4)
O7_1—Fe1_1—O2_1—C2_1	108.4 (4)	O6_5—Fe5_5—O2_5—C2_5	70.4 (4)
O5_1—Fe1_1—O2_1—C2_1	27.3 (5)	O5_5—Fe5_5—O2_5—C2_5	−26.3 (5)
O4_1—Fe1_1—O2_1—C2_1	−176.0 (3)	O1_5—Fe5_5—O2_5—C2_5	−16.7 (4)
O3_1—Fe1_1—O2_1—C2_1	−151.9 (4)	O4_5—Fe5_5—O2_5—C2_5	175.0 (3)
O1_1—Fe1_1—O2_1—C2_1	17.5 (4)	O3_5—Fe5_5—O2_5—C2_5	153.0 (4)
O6_1—Fe1_1—O3_1—C5_1	115.0 (4)	O7_5—Fe5_5—O3_5—C4_5	−66.6 (3)
O7_1—Fe1_1—O3_1—C5_1	−65.4 (4)	O6_5—Fe5_5—O3_5—C4_5	115.4 (3)
O5_1—Fe1_1—O3_1—C5_1	36.6 (5)	O5_5—Fe5_5—O3_5—C4_5	−166.7 (3)
O4_1—Fe1_1—O3_1—C5_1	21.3 (4)	O2_5—Fe5_5—O3_5—C4_5	14.0 (3)
O1_1—Fe1_1—O3_1—C5_1	−162.2 (4)	O1_5—Fe5_5—O3_5—C4_5	31.3 (5)
O2_1—Fe1_1—O3_1—C5_1	−144.3 (4)	O4_5—Fe5_5—O3_5—C4_5	−152.7 (4)
O6_1—Fe1_1—O3_1—C4_1	−114.8 (3)	O7_5—Fe5_5—O3_5—C5_5	62.9 (4)
O7_1—Fe1_1—O3_1—C4_1	64.8 (3)	O6_5—Fe5_5—O3_5—C5_5	−115.1 (4)
O5_1—Fe1_1—O3_1—C4_1	166.7 (3)	O5_5—Fe5_5—O3_5—C5_5	−37.2 (5)
O4_1—Fe1_1—O3_1—C4_1	151.5 (4)	O2_5—Fe5_5—O3_5—C5_5	143.5 (4)
O1_1—Fe1_1—O3_1—C4_1	−32.0 (5)	O1_5—Fe5_5—O3_5—C5_5	160.7 (4)
O2_1—Fe1_1—O3_1—C4_1	−14.1 (3)	O4_5—Fe5_5—O3_5—C5_5	−23.2 (4)
O6_1—Fe1_1—O4_1—C7_1	57.8 (3)	O7_5—Fe5_5—O4_5—C6_5	−108.6 (4)
O7_1—Fe1_1—O4_1—C7_1	−120.6 (3)	O6_5—Fe5_5—O4_5—C6_5	74.3 (4)
O5_1—Fe1_1—O4_1—C7_1	−28.4 (3)	O5_5—Fe5_5—O4_5—C6_5	160.0 (4)
O3_1—Fe1_1—O4_1—C7_1	142.0 (3)	O2_5—Fe5_5—O4_5—C6_5	−33.1 (5)
O1_1—Fe1_1—O4_1—C7_1	−34.8 (4)	O1_5—Fe5_5—O4_5—C6_5	165.2 (4)
O2_1—Fe1_1—O4_1—C7_1	166.1 (3)	O3_5—Fe5_5—O4_5—C6_5	−11.1 (4)
O6_1—Fe1_1—O4_1—C6_1	−74.0 (4)	O7_5—Fe5_5—O4_5—C7_5	119.2 (3)
O7_1—Fe1_1—O4_1—C6_1	107.6 (4)	O6_5—Fe5_5—O4_5—C7_5	−57.9 (3)
O5_1—Fe1_1—O4_1—C6_1	−160.1 (4)	O5_5—Fe5_5—O4_5—C7_5	27.9 (3)
O3_1—Fe1_1—O4_1—C6_1	10.3 (3)	O2_5—Fe5_5—O4_5—C7_5	−165.2 (3)
O1_1—Fe1_1—O4_1—C6_1	−166.5 (3)	O1_5—Fe5_5—O4_5—C7_5	33.1 (4)
O2_1—Fe1_1—O4_1—C6_1	34.3 (5)	O3_5—Fe5_5—O4_5—C7_5	−143.2 (4)
O6_1—Fe1_1—O5_1—C8_1	−93.2 (4)	O7_5—Fe5_5—O5_5—C9_5	88.9 (4)
O7_1—Fe1_1—O5_1—C8_1	88.2 (4)	O6_5—Fe5_5—O5_5—C9_5	−91.3 (4)
O4_1—Fe1_1—O5_1—C8_1	0.2 (4)	O2_5—Fe5_5—O5_5—C9_5	9.8 (5)
O3_1—Fe1_1—O5_1—C8_1	−15.3 (5)	O1_5—Fe5_5—O5_5—C9_5	0.1 (4)
O1_1—Fe1_1—O5_1—C8_1	175.9 (4)	O4_5—Fe5_5—O5_5—C9_5	176.7 (4)
O2_1—Fe1_1—O5_1—C8_1	166.0 (4)	O3_5—Fe5_5—O5_5—C9_5	−169.0 (4)
O6_1—Fe1_1—O5_1—C9_1	91.6 (4)	O7_5—Fe5_5—O5_5—C8_5	−88.9 (4)
O7_1—Fe1_1—O5_1—C9_1	−87.0 (4)	O6_5—Fe5_5—O5_5—C8_5	90.9 (4)
O4_1—Fe1_1—O5_1—C9_1	−175.1 (4)	O2_5—Fe5_5—O5_5—C8_5	−168.0 (4)
O3_1—Fe1_1—O5_1—C9_1	169.4 (3)	O1_5—Fe5_5—O5_5—C8_5	−177.7 (4)
O1_1—Fe1_1—O5_1—C9_1	0.7 (4)	O4_5—Fe5_5—O5_5—C8_5	−1.1 (4)
O2_1—Fe1_1—O5_1—C9_1	−9.3 (5)	O3_5—Fe5_5—O5_5—C8_5	13.1 (5)
C10_1—O1_1—C1_1—C2_1	−173.1 (4)	C10_5—O1_5—C1_5—C2_5	171.3 (5)
Fe1_1—O1_1—C1_1—C2_1	−45.2 (5)	Fe5_5—O1_5—C1_5—C2_5	43.9 (5)
C3_1—O2_1—C2_1—C1_1	−177.2 (5)	C3_5—O2_5—C2_5—C1_5	177.0 (5)
Fe1_1—O2_1—C2_1—C1_1	−45.7 (6)	Fe5_5—O2_5—C2_5—C1_5	44.9 (6)
O1_1—C1_1—C2_1—O2_1	58.6 (6)	O1_5—C1_5—C2_5—O2_5	−56.7 (6)
C2_1—O2_1—C3_1—C4_1	178.9 (5)	C2_5—O2_5—C3_5—C4_5	178.3 (5)
Fe1_1—O2_1—C3_1—C4_1	47.1 (5)	Fe5_5—O2_5—C3_5—C4_5	−49.0 (5)
C5_1—O3_1—C4_1—C3_1	171.4 (4)	C5_5—O3_5—C4_5—C3_5	−171.3 (4)
Fe1_1—O3_1—C4_1—C3_1	42.9 (5)	Fe5_5—O3_5—C4_5—C3_5	−43.8 (5)
O2_1—C3_1—C4_1—O3_1	−58.0 (6)	O2_5—C3_5—C4_5—O3_5	59.7 (6)
C4_1—O3_1—C5_1—C6_1	−178.4 (4)	C4_5—O3_5—C5_5—C6_5	−180.0 (4)
Fe1_1—O3_1—C5_1—C6_1	−48.8 (5)	Fe5_5—O3_5—C5_5—C6_5	51.5 (5)
C7_1—O4_1—C6_1—C5_1	−170.0 (5)	C7_5—O4_5—C6_5—C5_5	172.5 (5)
Fe1_1—O4_1—C6_1—C5_1	−39.2 (5)	Fe5_5—O4_5—C6_5—C5_5	40.5 (5)
O3_1—C5_1—C6_1—O4_1	57.2 (6)	O3_5—C5_5—C6_5—O4_5	−59.6 (6)
C6_1—O4_1—C7_1—C8_1	−177.7 (4)	C6_5—O4_5—C7_5—C8_5	178.4 (4)
Fe1_1—O4_1—C7_1—C8_1	51.2 (5)	Fe5_5—O4_5—C7_5—C8_5	−49.0 (5)
C9_1—O5_1—C8_1—C7_1	−159.3 (5)	C9_5—O5_5—C8_5—C7_5	158.4 (5)
Fe1_1—O5_1—C8_1—C7_1	25.3 (6)	Fe5_5—O5_5—C8_5—C7_5	−23.7 (6)
O4_1—C7_1—C8_1—O5_1	−47.3 (6)	O4_5—C7_5—C8_5—O5_5	44.8 (6)
C8_1—O5_1—C9_1—C10_1	−149.2 (5)	C8_5—O5_5—C9_5—C10_5	150.6 (5)
Fe1_1—O5_1—C9_1—C10_1	26.2 (5)	Fe5_5—O5_5—C9_5—C10_5	−27.3 (5)
C1_1—O1_1—C10_1—C9_1	−179.3 (4)	C1_5—O1_5—C10_5—C9_5	178.3 (4)
Fe1_1—O1_1—C10_1—C9_1	52.6 (5)	Fe5_5—O1_5—C10_5—C9_5	−53.2 (5)
O5_1—C9_1—C10_1—O1_1	−48.8 (5)	O5_5—C9_5—C10_5—O1_5	50.6 (5)
O7_2—Fe2_2—O1_2—C1_2	67.9 (3)	O6_6—Fe6_6—O1_6—C1_6	117.9 (4)
O6_2—Fe2_2—O1_2—C1_2	−115.5 (3)	O7_6—Fe6_6—O1_6—C1_6	−64.6 (4)
O2_2—Fe2_2—O1_2—C1_2	−15.7 (3)	O5_6—Fe6_6—O1_6—C1_6	−155.2 (4)
O5_2—Fe2_2—O1_2—C1_2	156.8 (4)	O3_6—Fe6_6—O1_6—C1_6	35.3 (5)
O4_2—Fe2_2—O1_2—C1_2	154.7 (3)	O4_6—Fe6_6—O1_6—C1_6	−150.9 (3)
O3_2—Fe2_2—O1_2—C1_2	−34.7 (5)	O2_6—Fe6_6—O1_6—C1_6	16.5 (3)
O7_2—Fe2_2—O1_2—C10_2	−61.8 (4)	O6_6—Fe6_6—O1_6—C10_6	−113.6 (3)
O6_2—Fe2_2—O1_2—C10_2	114.8 (3)	O7_6—Fe6_6—O1_6—C10_6	63.9 (4)
O2_2—Fe2_2—O1_2—C10_2	−145.4 (4)	O5_6—Fe6_6—O1_6—C10_6	−26.7 (3)
O5_2—Fe2_2—O1_2—C10_2	27.1 (3)	O3_6—Fe6_6—O1_6—C10_6	163.7 (3)
O4_2—Fe2_2—O1_2—C10_2	25.0 (5)	O4_6—Fe6_6—O1_6—C10_6	−22.5 (4)
O3_2—Fe2_2—O1_2—C10_2	−164.4 (3)	O2_6—Fe6_6—O1_6—C10_6	144.9 (4)
O7_2—Fe2_2—O2_2—C2_2	−108.7 (4)	O6_6—Fe6_6—O2_6—C2_6	−68.2 (4)
O6_2—Fe2_2—O2_2—C2_2	70.3 (4)	O7_6—Fe6_6—O2_6—C2_6	109.8 (4)
O5_2—Fe2_2—O2_2—C2_2	−28.6 (5)	O5_6—Fe6_6—O2_6—C2_6	31.2 (5)
O4_2—Fe2_2—O2_2—C2_2	173.5 (3)	O3_6—Fe6_6—O2_6—C2_6	−150.8 (4)
O3_2—Fe2_2—O2_2—C2_2	151.9 (4)	O4_6—Fe6_6—O2_6—C2_6	−175.7 (3)
O1_2—Fe2_2—O2_2—C2_2	−16.7 (4)	O1_6—Fe6_6—O2_6—C2_6	17.9 (4)
O7_2—Fe2_2—O2_2—C3_2	117.6 (3)	O6_6—Fe6_6—O2_6—C3_6	63.5 (3)
O6_2—Fe2_2—O2_2—C3_2	−63.4 (3)	O7_6—Fe6_6—O2_6—C3_6	−118.5 (4)
O5_2—Fe2_2—O2_2—C3_2	−162.2 (3)	O5_6—Fe6_6—O2_6—C3_6	162.8 (3)
O4_2—Fe2_2—O2_2—C3_2	39.9 (5)	O3_6—Fe6_6—O2_6—C3_6	−19.1 (3)
O3_2—Fe2_2—O2_2—C3_2	18.3 (3)	O4_6—Fe6_6—O2_6—C3_6	−44.0 (5)
O1_2—Fe2_2—O2_2—C3_2	−150.4 (4)	O1_6—Fe6_6—O2_6—C3_6	149.6 (4)
O7_2—Fe2_2—O3_2—C4_2	−65.7 (3)	O6_6—Fe6_6—O3_6—C5_6	112.9 (4)
O6_2—Fe2_2—O3_2—C4_2	117.1 (3)	O7_6—Fe6_6—O3_6—C5_6	−65.8 (4)
O2_2—Fe2_2—O3_2—C4_2	15.8 (3)	O5_6—Fe6_6—O3_6—C5_6	33.4 (5)
O5_2—Fe2_2—O3_2—C4_2	−163.7 (3)	O4_6—Fe6_6—O3_6—C5_6	20.7 (4)
O4_2—Fe2_2—O3_2—C4_2	−151.3 (3)	O2_6—Fe6_6—O3_6—C5_6	−144.6 (4)
O1_2—Fe2_2—O3_2—C4_2	34.7 (5)	O1_6—Fe6_6—O3_6—C5_6	−163.3 (4)
O7_2—Fe2_2—O3_2—C5_2	63.2 (4)	O6_6—Fe6_6—O3_6—C4_6	−116.5 (3)
O6_2—Fe2_2—O3_2—C5_2	−114.0 (4)	O7_6—Fe6_6—O3_6—C4_6	64.8 (3)
O2_2—Fe2_2—O3_2—C5_2	144.6 (4)	O5_6—Fe6_6—O3_6—C4_6	164.0 (3)
O5_2—Fe2_2—O3_2—C5_2	−34.8 (5)	O4_6—Fe6_6—O3_6—C4_6	151.3 (4)
O4_2—Fe2_2—O3_2—C5_2	−22.5 (3)	O2_6—Fe6_6—O3_6—C4_6	−14.0 (3)
O1_2—Fe2_2—O3_2—C5_2	163.6 (3)	O1_6—Fe6_6—O3_6—C4_6	−32.7 (5)
O7_2—Fe2_2—O4_2—C6_2	−110.3 (4)	O6_6—Fe6_6—O4_6—C7_6	55.7 (3)
O6_2—Fe2_2—O4_2—C6_2	72.4 (4)	O7_6—Fe6_6—O4_6—C7_6	−121.6 (3)
O2_2—Fe2_2—O4_2—C6_2	−33.8 (5)	O5_6—Fe6_6—O4_6—C7_6	−30.7 (3)
O5_2—Fe2_2—O4_2—C6_2	160.0 (4)	O3_6—Fe6_6—O4_6—C7_6	141.3 (3)
O3_2—Fe2_2—O4_2—C6_2	−12.2 (3)	O2_6—Fe6_6—O4_6—C7_6	166.1 (3)
O1_2—Fe2_2—O4_2—C6_2	162.1 (3)	O1_6—Fe6_6—O4_6—C7_6	−34.9 (4)
O7_2—Fe2_2—O4_2—C7_2	119.9 (3)	O6_6—Fe6_6—O4_6—C6_6	−74.2 (4)
O6_2—Fe2_2—O4_2—C7_2	−57.5 (3)	O7_6—Fe6_6—O4_6—C6_6	108.5 (4)
O2_2—Fe2_2—O4_2—C7_2	−163.6 (3)	O5_6—Fe6_6—O4_6—C6_6	−160.6 (4)
O5_2—Fe2_2—O4_2—C7_2	30.2 (3)	O3_6—Fe6_6—O4_6—C6_6	11.4 (4)
O3_2—Fe2_2—O4_2—C7_2	−142.1 (3)	O2_6—Fe6_6—O4_6—C6_6	36.2 (5)
O1_2—Fe2_2—O4_2—C7_2	32.3 (4)	O1_6—Fe6_6—O4_6—C6_6	−164.8 (3)
O7_2—Fe2_2—O5_2—C9_2	93.0 (4)	O6_6—Fe6_6—O5_6—C8_6	−89.5 (4)
O6_2—Fe2_2—O5_2—C9_2	−88.1 (4)	O7_6—Fe6_6—O5_6—C8_6	90.9 (4)
O2_2—Fe2_2—O5_2—C9_2	14.6 (5)	O3_6—Fe6_6—O5_6—C8_6	−10.3 (5)
O4_2—Fe2_2—O5_2—C9_2	−178.9 (4)	O4_6—Fe6_6—O5_6—C8_6	2.8 (4)
O3_2—Fe2_2—O5_2—C9_2	−166.3 (4)	O2_6—Fe6_6—O5_6—C8_6	166.6 (4)
O1_2—Fe2_2—O5_2—C9_2	2.5 (4)	O1_6—Fe6_6—O5_6—C8_6	180.0 (4)
O7_2—Fe2_2—O5_2—C8_2	−90.4 (4)	O6_6—Fe6_6—O5_6—C9_6	88.0 (4)
O6_2—Fe2_2—O5_2—C8_2	88.5 (4)	O7_6—Fe6_6—O5_6—C9_6	−91.6 (4)
O2_2—Fe2_2—O5_2—C8_2	−168.9 (4)	O3_6—Fe6_6—O5_6—C9_6	167.2 (3)
O4_2—Fe2_2—O5_2—C8_2	−2.3 (4)	O4_6—Fe6_6—O5_6—C9_6	−179.7 (4)
O3_2—Fe2_2—O5_2—C8_2	10.3 (5)	O2_6—Fe6_6—O5_6—C9_6	−15.9 (5)
O1_2—Fe2_2—O5_2—C8_2	179.1 (4)	O1_6—Fe6_6—O5_6—C9_6	−2.5 (4)
C10_2—O1_2—C1_2—C2_2	171.8 (4)	C10_6—O1_6—C1_6—C2_6	−173.1 (4)
Fe2_2—O1_2—C1_2—C2_2	43.6 (5)	Fe6_6—O1_6—C1_6—C2_6	−45.7 (5)
C3_2—O2_2—C2_2—C1_2	177.4 (5)	C3_6—O2_6—C2_6—C1_6	−176.9 (5)
Fe2_2—O2_2—C2_2—C1_2	44.5 (6)	Fe6_6—O2_6—C2_6—C1_6	−46.8 (6)
O1_2—C1_2—C2_2—O2_2	−56.6 (6)	O1_6—C1_6—C2_6—O2_6	59.9 (6)
C2_2—O2_2—C3_2—C4_2	177.9 (5)	C2_6—O2_6—C3_6—C4_6	177.9 (5)
Fe2_2—O2_2—C3_2—C4_2	−48.4 (5)	Fe6_6—O2_6—C3_6—C4_6	47.4 (5)
C5_2—O3_2—C4_2—C3_2	−172.1 (4)	C5_6—O3_6—C4_6—C3_6	171.4 (4)
Fe2_2—O3_2—C4_2—C3_2	−45.4 (5)	Fe6_6—O3_6—C4_6—C3_6	42.7 (5)
O2_2—C3_2—C4_2—O3_2	60.2 (6)	O2_6—C3_6—C4_6—O3_6	−58.3 (6)
C4_2—O3_2—C5_2—C6_2	179.1 (4)	C4_6—O3_6—C5_6—C6_6	−179.2 (4)
Fe2_2—O3_2—C5_2—C6_2	51.5 (5)	Fe6_6—O3_6—C5_6—C6_6	−49.2 (5)
C7_2—O4_2—C6_2—C5_2	171.4 (4)	C7_6—O4_6—C6_6—C5_6	−169.4 (5)
Fe2_2—O4_2—C6_2—C5_2	41.9 (5)	Fe6_6—O4_6—C6_6—C5_6	−40.1 (5)
O3_2—C5_2—C6_2—O4_2	−60.6 (5)	O3_6—C5_6—C6_6—O4_6	58.3 (6)
C6_2—O4_2—C7_2—C8_2	177.5 (4)	C6_6—O4_6—C7_6—C8_6	−177.8 (4)
Fe2_2—O4_2—C7_2—C8_2	−52.1 (5)	Fe6_6—O4_6—C7_6—C8_6	52.7 (5)
C9_2—O5_2—C8_2—C7_2	152.8 (5)	C9_6—O5_6—C8_6—C7_6	−154.5 (5)
Fe2_2—O5_2—C8_2—C7_2	−23.9 (6)	Fe6_6—O5_6—C8_6—C7_6	23.0 (6)
O4_2—C7_2—C8_2—O5_2	46.9 (6)	O4_6—C7_6—C8_6—O5_6	−46.9 (6)
C8_2—O5_2—C9_2—C10_2	153.8 (5)	C8_6—O5_6—C9_6—C10_6	−152.9 (5)
Fe2_2—O5_2—C9_2—C10_2	−29.5 (5)	Fe6_6—O5_6—C9_6—C10_6	29.5 (5)
C1_2—O1_2—C10_2—C9_2	−179.7 (4)	C1_6—O1_6—C10_6—C9_6	179.5 (5)
Fe2_2—O1_2—C10_2—C9_2	−51.3 (5)	Fe6_6—O1_6—C10_6—C9_6	51.4 (5)
O5_2—C9_2—C10_2—O1_2	50.7 (5)	O5_6—C9_6—C10_6—O1_6	−50.7 (5)
Fe9_9—O6_3—Fe3_3—O7_3	0 (5)	Fe10_10—O7_7—Fe7_7—O6_7	−39 (4)
Fe9_9—O6_3—Fe3_3—O5_3	−2 (3)	Fe10_10—O7_7—Fe7_7—O5_7	−10 (2)
Fe9_9—O6_3—Fe3_3—O3_3	−146 (3)	Fe10_10—O7_7—Fe7_7—O2_7	134 (2)
Fe9_9—O6_3—Fe3_3—O4_3	−72 (3)	Fe10_10—O7_7—Fe7_7—O4_7	−81 (2)
Fe9_9—O6_3—Fe3_3—O1_3	70 (3)	Fe10_10—O7_7—Fe7_7—O3_7	−154 (2)
Fe9_9—O6_3—Fe3_3—O2_3	142 (3)	Fe10_10—O7_7—Fe7_7—O1_7	61 (2)
Fe9_9—O7_3—Fe3_3—O6_3	0 (5)	Fe10_10—O6_7—Fe7_7—O7_7	37 (4)
Fe9_9—O7_3—Fe3_3—O5_3	2 (3)	Fe10_10—O6_7—Fe7_7—O5_7	8 (2)
Fe9_9—O7_3—Fe3_3—O3_3	146 (3)	Fe10_10—O6_7—Fe7_7—O2_7	−135 (2)
Fe9_9—O7_3—Fe3_3—O4_3	72 (3)	Fe10_10—O6_7—Fe7_7—O4_7	79 (2)
Fe9_9—O7_3—Fe3_3—O1_3	−70 (3)	Fe10_10—O6_7—Fe7_7—O3_7	153 (2)
Fe9_9—O7_3—Fe3_3—O2_3	−143 (3)	Fe10_10—O6_7—Fe7_7—O1_7	−63 (2)
O6_3—Fe3_3—O1_3—C1_3	118.8 (3)	O7_7—Fe7_7—O1_7—C1_7	68.0 (3)
O7_3—Fe3_3—O1_3—C1_3	−64.0 (3)	O6_7—Fe7_7—O1_7—C1_7	−115.6 (3)
O5_3—Fe3_3—O1_3—C1_3	−151.7 (3)	O5_7—Fe7_7—O1_7—C1_7	152.7 (3)
O3_3—Fe3_3—O1_3—C1_3	37.9 (4)	O2_7—Fe7_7—O1_7—C1_7	−15.0 (3)
O4_3—Fe3_3—O1_3—C1_3	−153.4 (3)	O4_7—Fe7_7—O1_7—C1_7	158.1 (3)
O2_3—Fe3_3—O1_3—C1_3	16.4 (3)	O3_7—Fe7_7—O1_7—C1_7	−37.4 (4)
O6_3—Fe3_3—O1_3—C10_3	−111.9 (3)	O7_7—Fe7_7—O1_7—C10_7	−61.8 (3)
O7_3—Fe3_3—O1_3—C10_3	65.4 (3)	O6_7—Fe7_7—O1_7—C10_7	114.5 (3)
O5_3—Fe3_3—O1_3—C10_3	−22.4 (3)	O5_7—Fe7_7—O1_7—C10_7	22.8 (3)
O3_3—Fe3_3—O1_3—C10_3	167.2 (3)	O2_7—Fe7_7—O1_7—C10_7	−144.9 (3)
O4_3—Fe3_3—O1_3—C10_3	−24.1 (4)	O4_7—Fe7_7—O1_7—C10_7	28.2 (4)
O2_3—Fe3_3—O1_3—C10_3	145.7 (3)	O3_7—Fe7_7—O1_7—C10_7	−167.3 (3)
O6_3—Fe3_3—O2_3—C2_3	−67.5 (3)	O7_7—Fe7_7—O2_7—C2_7	−111.7 (3)
O7_3—Fe3_3—O2_3—C2_3	110.7 (3)	O6_7—Fe7_7—O2_7—C2_7	67.8 (3)
O5_3—Fe3_3—O2_3—C2_3	36.2 (4)	O5_7—Fe7_7—O2_7—C2_7	−36.5 (4)
O3_3—Fe3_3—O2_3—C2_3	−149.3 (3)	O4_7—Fe7_7—O2_7—C2_7	169.9 (3)
O4_3—Fe3_3—O2_3—C2_3	−173.3 (3)	O3_7—Fe7_7—O2_7—C2_7	148.8 (3)
O1_3—Fe3_3—O2_3—C2_3	17.3 (3)	O1_7—Fe7_7—O2_7—C2_7	−17.5 (3)
O6_3—Fe3_3—O2_3—C3_3	63.9 (3)	O7_7—Fe7_7—O2_7—C3_7	114.9 (3)
O7_3—Fe3_3—O2_3—C3_3	−117.9 (3)	O6_7—Fe7_7—O2_7—C3_7	−65.6 (3)
O5_3—Fe3_3—O2_3—C3_3	167.6 (3)	O5_7—Fe7_7—O2_7—C3_7	−169.9 (3)
O3_3—Fe3_3—O2_3—C3_3	−17.9 (3)	O4_7—Fe7_7—O2_7—C3_7	36.5 (4)
O4_3—Fe3_3—O2_3—C3_3	−41.9 (4)	O3_7—Fe7_7—O2_7—C3_7	15.4 (3)
O1_3—Fe3_3—O2_3—C3_3	148.8 (3)	O1_7—Fe7_7—O2_7—C3_7	−150.9 (3)
O6_3—Fe3_3—O3_3—C5_3	111.7 (3)	O7_7—Fe7_7—O3_7—C5_7	66.5 (3)
O7_3—Fe3_3—O3_3—C5_3	−66.7 (3)	O6_7—Fe7_7—O3_7—C5_7	−110.1 (3)
O5_3—Fe3_3—O3_3—C5_3	29.2 (4)	O5_7—Fe7_7—O3_7—C5_7	−26.3 (4)
O4_3—Fe3_3—O3_3—C5_3	20.7 (3)	O2_7—Fe7_7—O3_7—C5_7	148.0 (3)
O1_3—Fe3_3—O3_3—C5_3	−166.5 (3)	O4_7—Fe7_7—O3_7—C5_7	−19.5 (3)
O2_3—Fe3_3—O3_3—C5_3	−145.0 (3)	O1_7—Fe7_7—O3_7—C5_7	170.4 (3)
O6_3—Fe3_3—O3_3—C4_3	−118.2 (3)	O7_7—Fe7_7—O3_7—C4_7	−62.6 (3)
O7_3—Fe3_3—O3_3—C4_3	63.5 (3)	O6_7—Fe7_7—O3_7—C4_7	120.7 (3)
O5_3—Fe3_3—O3_3—C4_3	159.4 (3)	O5_7—Fe7_7—O3_7—C4_7	−155.5 (3)
O4_3—Fe3_3—O3_3—C4_3	150.8 (3)	O2_7—Fe7_7—O3_7—C4_7	18.8 (3)
O1_3—Fe3_3—O3_3—C4_3	−36.4 (4)	O4_7—Fe7_7—O3_7—C4_7	−148.7 (3)
O2_3—Fe3_3—O3_3—C4_3	−14.8 (3)	O1_7—Fe7_7—O3_7—C4_7	41.2 (4)
O6_3—Fe3_3—O4_3—C6_3	−73.2 (3)	O7_7—Fe7_7—O4_7—C6_7	−112.8 (3)
O7_3—Fe3_3—O4_3—C6_3	109.6 (3)	O6_7—Fe7_7—O4_7—C6_7	69.7 (3)
O5_3—Fe3_3—O4_3—C6_3	−162.3 (3)	O5_7—Fe7_7—O4_7—C6_7	161.2 (4)
O3_3—Fe3_3—O4_3—C6_3	12.4 (3)	O2_7—Fe7_7—O4_7—C6_7	−35.6 (4)
O1_3—Fe3_3—O4_3—C6_3	−160.6 (3)	O3_7—Fe7_7—O4_7—C6_7	−14.6 (3)
O2_3—Fe3_3—O4_3—C6_3	36.2 (4)	O1_7—Fe7_7—O4_7—C6_7	155.8 (3)
O6_3—Fe3_3—O4_3—C7_3	56.5 (3)	O7_7—Fe7_7—O4_7—C7_7	118.5 (3)
O7_3—Fe3_3—O4_3—C7_3	−120.7 (3)	O6_7—Fe7_7—O4_7—C7_7	−59.0 (3)
O5_3—Fe3_3—O4_3—C7_3	−32.6 (3)	O5_7—Fe7_7—O4_7—C7_7	32.5 (3)
O3_3—Fe3_3—O4_3—C7_3	142.1 (3)	O2_7—Fe7_7—O4_7—C7_7	−164.4 (3)
O1_3—Fe3_3—O4_3—C7_3	−30.8 (4)	O3_7—Fe7_7—O4_7—C7_7	−143.3 (3)
O2_3—Fe3_3—O4_3—C7_3	165.9 (3)	O1_7—Fe7_7—O4_7—C7_7	27.1 (4)
O6_3—Fe3_3—O5_3—C9_3	80.8 (4)	O7_7—Fe7_7—O5_7—C9_7	103.4 (4)
O7_3—Fe3_3—O5_3—C9_3	−99.1 (4)	O6_7—Fe7_7—O5_7—C9_7	−78.4 (4)
O3_3—Fe3_3—O5_3—C9_3	162.2 (3)	O2_7—Fe7_7—O5_7—C9_7	28.8 (5)
O4_3—Fe3_3—O5_3—C9_3	170.9 (4)	O4_7—Fe7_7—O5_7—C9_7	−166.9 (4)
O1_3—Fe3_3—O5_3—C9_3	−8.0 (3)	O3_7—Fe7_7—O5_7—C9_7	−160.0 (3)
O2_3—Fe3_3—O5_3—C9_3	−27.0 (5)	O1_7—Fe7_7—O5_7—C9_7	9.6 (3)
O6_3—Fe3_3—O5_3—C8_3	−82.6 (4)	O7_7—Fe7_7—O5_7—C8_7	−97.4 (4)
O7_3—Fe3_3—O5_3—C8_3	97.4 (4)	O6_7—Fe7_7—O5_7—C8_7	80.8 (4)
O3_3—Fe3_3—O5_3—C8_3	−1.3 (5)	O2_7—Fe7_7—O5_7—C8_7	−172.0 (3)
O4_3—Fe3_3—O5_3—C8_3	7.5 (3)	O4_7—Fe7_7—O5_7—C8_7	−7.7 (3)
O1_3—Fe3_3—O5_3—C8_3	−171.4 (4)	O3_7—Fe7_7—O5_7—C8_7	−0.8 (5)
O2_3—Fe3_3—O5_3—C8_3	169.6 (3)	O1_7—Fe7_7—O5_7—C8_7	168.8 (4)
C10_3—O1_3—C1_3—C2_3	−173.8 (4)	C10_7—O1_7—C1_7—C2_7	173.1 (4)
Fe3_3—O1_3—C1_3—C2_3	−45.2 (5)	Fe7_7—O1_7—C1_7—C2_7	43.7 (5)
C3_3—O2_3—C2_3—C1_3	−176.4 (4)	C3_7—O2_7—C2_7—C1_7	177.8 (4)
Fe3_3—O2_3—C2_3—C1_3	−45.7 (5)	Fe7_7—O2_7—C2_7—C1_7	45.4 (5)
O1_3—C1_3—C2_3—O2_3	58.8 (5)	O1_7—C1_7—C2_7—O2_7	−57.4 (5)
C2_3—O2_3—C3_3—C4_3	177.1 (4)	C2_7—O2_7—C3_7—C4_7	−178.4 (4)
Fe3_3—O2_3—C3_3—C4_3	46.2 (5)	Fe7_7—O2_7—C3_7—C4_7	−45.3 (4)
C5_3—O3_3—C4_3—C3_3	172.2 (4)	C5_7—O3_7—C4_7—C3_7	−175.9 (4)
Fe3_3—O3_3—C4_3—C3_3	43.5 (4)	Fe7_7—O3_7—C4_7—C3_7	−47.6 (4)
O2_3—C3_3—C4_3—O3_3	−57.5 (5)	O2_7—C3_7—C4_7—O3_7	59.8 (5)
C4_3—O3_3—C5_3—C6_3	−178.7 (4)	C4_7—O3_7—C5_7—C6_7	176.4 (4)
Fe3_3—O3_3—C5_3—C6_3	−48.6 (4)	Fe7_7—O3_7—C5_7—C6_7	47.8 (5)
C7_3—O4_3—C6_3—C5_3	−170.2 (4)	C7_7—O4_7—C6_7—C5_7	170.7 (4)
Fe3_3—O4_3—C6_3—C5_3	−41.5 (5)	Fe7_7—O4_7—C6_7—C5_7	43.1 (5)
O3_3—C5_3—C6_3—O4_3	58.9 (5)	O3_7—C5_7—C6_7—O4_7	−59.0 (5)
C6_3—O4_3—C7_3—C8_3	−178.2 (4)	C6_7—O4_7—C7_7—C8_7	178.5 (4)
Fe3_3—O4_3—C7_3—C8_3	52.5 (4)	Fe7_7—O4_7—C7_7—C8_7	−52.6 (4)
C9_3—O5_3—C8_3—C7_3	−147.0 (4)	C9_7—O5_7—C8_7—C7_7	142.1 (4)
Fe3_3—O5_3—C8_3—C7_3	16.9 (5)	Fe7_7—O5_7—C8_7—C7_7	−17.2 (5)
O4_3—C7_3—C8_3—O5_3	−43.3 (5)	O4_7—C7_7—C8_7—O5_7	43.9 (5)
C8_3—O5_3—C9_3—C10_3	−161.7 (4)	C8_7—O5_7—C9_7—C10_7	162.6 (4)
Fe3_3—O5_3—C9_3—C10_3	34.1 (5)	Fe7_7—O5_7—C9_7—C10_7	−37.6 (5)
C1_3—O1_3—C10_3—C9_3	176.9 (4)	C1_7—O1_7—C10_7—C9_7	−178.1 (4)
Fe3_3—O1_3—C10_3—C9_3	47.8 (4)	Fe7_7—O1_7—C10_7—C9_7	−49.0 (4)
O5_3—C9_3—C10_3—O1_3	−51.5 (5)	O5_7—C9_7—C10_7—O1_7	54.1 (5)
Fe3_3—O6_3—Fe9_9—O5_9	−3 (3)	Fe7_7—O7_7—Fe10_10—O5_10	−11 (2)
Fe3_3—O6_3—Fe9_9—O7_3	0 (2)	Fe7_7—O7_7—Fe10_10—O3_10	−154 (2)
Fe3_3—O6_3—Fe9_9—O3_9	−146 (3)	Fe7_7—O7_7—Fe10_10—O2_10	133 (2)
Fe3_3—O6_3—Fe9_9—O2_9	142 (3)	Fe7_7—O7_7—Fe10_10—O1_10	62 (2)
Fe3_3—O6_3—Fe9_9—O1_9	71 (3)	Fe7_7—O7_7—Fe10_10—O4_10	−81 (2)
Fe3_3—O6_3—Fe9_9—O4_9	−74 (3)	Fe7_7—O7_7—Fe10_10—O6_7	17.8 (19)
Fe3_3—O7_3—Fe9_9—O6_3	0 (2)	Fe7_7—O6_7—Fe10_10—O7_7	−20 (2)
Fe3_3—O7_3—Fe9_9—O5_9	3 (3)	Fe7_7—O6_7—Fe10_10—O5_10	9 (2)
Fe3_3—O7_3—Fe9_9—O3_9	146 (3)	Fe7_7—O6_7—Fe10_10—O3_10	152 (2)
Fe3_3—O7_3—Fe9_9—O2_9	−141 (3)	Fe7_7—O6_7—Fe10_10—O2_10	−136 (2)
Fe3_3—O7_3—Fe9_9—O1_9	−71 (3)	Fe7_7—O6_7—Fe10_10—O1_10	−64 (2)
Fe3_3—O7_3—Fe9_9—O4_9	74 (3)	Fe7_7—O6_7—Fe10_10—O4_10	79 (2)
O6_3—Fe9_9—O1_9—C10_9	−61.6 (3)	O7_7—Fe10_10—O1_10—C10_10	−113.2 (3)
O5_9—Fe9_9—O1_9—C10_9	26.5	O5_10—Fe10_10—O1_10—C10_10	−25.6
O7_3—Fe9_9—O1_9—C10_9	112.4 (4)	O3_10—Fe10_10—O1_10—C10_10	163.2
O3_9—Fe9_9—O1_9—C10_9	−162.3	O2_10—Fe10_10—O1_10—C10_10	148.4
O2_9—Fe9_9—O1_9—C10_9	−147.7	O4_10—Fe10_10—O1_10—C10_10	−23.8
O4_9—Fe9_9—O1_9—C10_9	26.1	O6_7—Fe10_10—O1_10—C10_10	61.9 (3)
O6_3—Fe9_9—O1_9—C1_9	67.8 (3)	O7_7—Fe10_10—O1_10—C1_10	115.8 (3)
O5_9—Fe9_9—O1_9—C1_9	156.0	O5_10—Fe10_10—O1_10—C1_10	−156.6
O7_3—Fe9_9—O1_9—C1_9	−118.1 (4)	O3_10—Fe10_10—O1_10—C1_10	32.2
O3_9—Fe9_9—O1_9—C1_9	−32.8	O2_10—Fe10_10—O1_10—C1_10	17.4
O2_9—Fe9_9—O1_9—C1_9	−18.3	O4_10—Fe10_10—O1_10—C1_10	−154.8
O4_9—Fe9_9—O1_9—C1_9	155.5	O6_7—Fe10_10—O1_10—C1_10	−69.1 (3)
O6_3—Fe9_9—O2_9—C3_9	115.6 (3)	O7_7—Fe10_10—O2_10—C3_10	69.2 (3)
O5_9—Fe9_9—O2_9—C3_9	−164.0	O5_10—Fe10_10—O2_10—C3_10	163.8
O7_3—Fe9_9—O2_9—C3_9	−68.4 (4)	O3_10—Fe10_10—O2_10—C3_10	−16.9
O3_9—Fe9_9—O2_9—C3_9	16.4	O1_10—Fe10_10—O2_10—C3_10	154.0
O1_9—Fe9_9—O2_9—C3_9	−154.5	O4_10—Fe10_10—O2_10—C3_10	−34.2
O4_9—Fe9_9—O2_9—C3_9	31.7	O6_7—Fe10_10—O2_10—C3_10	−117.1 (3)
O6_3—Fe9_9—O2_9—C2_9	−102.9 (4)	O7_7—Fe10_10—O2_10—C2_10	−69.6 (3)
O5_9—Fe9_9—O2_9—C2_9	−22.4	O5_10—Fe10_10—O2_10—C2_10	25.0
O7_3—Fe9_9—O2_9—C2_9	73.2 (4)	O3_10—Fe10_10—O2_10—C2_10	−155.7
O3_9—Fe9_9—O2_9—C2_9	158.0	O1_10—Fe10_10—O2_10—C2_10	15.2
O1_9—Fe9_9—O2_9—C2_9	−12.9	O4_10—Fe10_10—O2_10—C2_10	−173.0
O4_9—Fe9_9—O2_9—C2_9	173.3	O6_7—Fe10_10—O2_10—C2_10	104.0 (3)
O6_3—Fe9_9—O3_9—C5_9	68.1 (4)	O7_7—Fe10_10—O3_10—C4_10	−113.4 (3)
O5_9—Fe9_9—O3_9—C5_9	−28.2	O5_10—Fe10_10—O3_10—C4_10	164.0
O7_3—Fe9_9—O3_9—C5_9	−108.4 (4)	O2_10—Fe10_10—O3_10—C4_10	−15.4
O2_9—Fe9_9—O3_9—C5_9	151.4	O1_10—Fe10_10—O3_10—C4_10	−30.1
O1_9—Fe9_9—O3_9—C5_9	165.8	O4_10—Fe10_10—O3_10—C4_10	154.3
O4_9—Fe9_9—O3_9—C5_9	−19.3	O6_7—Fe10_10—O3_10—C4_10	67.6 (3)
O6_3—Fe9_9—O3_9—C4_9	−67.5 (4)	O7_7—Fe10_10—O3_10—C5_10	111.6 (3)
O5_9—Fe9_9—O3_9—C4_9	−163.8	O5_10—Fe10_10—O3_10—C5_10	28.9
O7_3—Fe9_9—O3_9—C4_9	116.0 (4)	O2_10—Fe10_10—O3_10—C5_10	−150.4
O2_9—Fe9_9—O3_9—C4_9	15.9	O1_10—Fe10_10—O3_10—C5_10	−165.2
O1_9—Fe9_9—O3_9—C4_9	30.3	O4_10—Fe10_10—O3_10—C5_10	19.2
O4_9—Fe9_9—O3_9—C4_9	−154.8	O6_7—Fe10_10—O3_10—C5_10	−67.4 (3)
O6_3—Fe9_9—O4_9—C6_9	−111.8 (3)	O7_7—Fe10_10—O4_10—C6_10	−73.7 (3)
O5_9—Fe9_9—O4_9—C6_9	160.5	O5_10—Fe10_10—O4_10—C6_10	−159.9
O7_3—Fe9_9—O4_9—C6_9	74.3 (4)	O3_10—Fe10_10—O4_10—C6_10	14.0
O3_9—Fe9_9—O4_9—C6_9	−13.8	O2_10—Fe10_10—O4_10—C6_10	31.3
O2_9—Fe9_9—O4_9—C6_9	−29.2	O1_10—Fe10_10—O4_10—C6_10	−161.7
O1_9—Fe9_9—O4_9—C6_9	160.9	O6_7—Fe10_10—O4_10—C6_10	113.2 (3)
O6_3—Fe9_9—O4_9—C7_9	114.0 (3)	O7_7—Fe10_10—O4_10—C7_10	56.7 (3)
O5_9—Fe9_9—O4_9—C7_9	26.2	O5_10—Fe10_10—O4_10—C7_10	−29.4
O7_3—Fe9_9—O4_9—C7_9	−60.0 (4)	O3_10—Fe10_10—O4_10—C7_10	144.4
O3_9—Fe9_9—O4_9—C7_9	−148.1	O2_10—Fe10_10—O4_10—C7_10	161.7
O2_9—Fe9_9—O4_9—C7_9	−163.4	O1_10—Fe10_10—O4_10—C7_10	−31.3
O1_9—Fe9_9—O4_9—C7_9	26.7	O6_7—Fe10_10—O4_10—C7_10	−116.4 (3)
O6_3—Fe9_9—O5_9—C9_9	92.4 (4)	O7_7—Fe10_10—O5_10—C9_10	85.1 (3)
O7_3—Fe9_9—O5_9—C9_9	−87.2 (4)	O3_10—Fe10_10—O5_10—C9_10	168.2
O3_9—Fe9_9—O5_9—C9_9	−168.0	O2_10—Fe10_10—O5_10—C9_10	−12.8
O2_9—Fe9_9—O5_9—C9_9	12.6	O1_10—Fe10_10—O5_10—C9_10	−3.1
O1_9—Fe9_9—O5_9—C9_9	3.2	O4_10—Fe10_10—O5_10—C9_10	178.1
O4_9—Fe9_9—O5_9—C9_9	−177.1	O6_7—Fe10_10—O5_10—C9_10	−91.5 (3)
O6_3—Fe9_9—O5_9—C8_9	−91.4 (4)	O7_7—Fe10_10—O5_10—C8_10	−90.0 (3)
O7_3—Fe9_9—O5_9—C8_9	88.9 (4)	O3_10—Fe10_10—O5_10—C8_10	−6.9
O3_9—Fe9_9—O5_9—C8_9	8.1	O2_10—Fe10_10—O5_10—C8_10	172.0
O2_9—Fe9_9—O5_9—C8_9	−171.3	O1_10—Fe10_10—O5_10—C8_10	−178.2
O1_9—Fe9_9—O5_9—C8_9	179.3	O4_10—Fe10_10—O5_10—C8_10	2.9
O4_9—Fe9_9—O5_9—C8_9	−0.9	O6_7—Fe10_10—O5_10—C8_10	93.3 (3)
C10_9—O1_9—C1_9—C2_9	174.7	C10_10—O1_10—C1_10—C2_10	−173.7
Fe9_9—O1_9—C1_9—C2_9	46.0	Fe10_10—O1_10—C1_10—C2_10	−44.4
O1_9—C1_9—C2_9—O2_9	−53.1	C3_10—O2_10—C2_10—C1_10	176.9
C3_9—O2_9—C2_9—C1_9	−177.9	Fe10_10—O2_10—C2_10—C1_10	−42.7
Fe9_9—O2_9—C2_9—C1_9	40.4	O1_10—C1_10—C2_10—O2_10	53.5
C2_9—O2_9—C3_9—C4_9	174.7	C2_10—O2_10—C3_10—C4_10	−175.7
Fe9_9—O2_9—C3_9—C4_9	−43.0	Fe10_10—O2_10—C3_10—C4_10	42.9
C5_9—O3_9—C4_9—C3_9	−178.8	C5_10—O3_10—C4_10—C3_10	176.5
Fe9_9—O3_9—C4_9—C3_9	−43.2	Fe10_10—O3_10—C4_10—C3_10	42.0
O2_9—C3_9—C4_9—O3_9	53.9	O2_10—C3_10—C4_10—O3_10	−52.8
C4_9—O3_9—C5_9—C6_9	−178.8	C4_10—O3_10—C5_10—C6_10	177.5
Fe9_9—O3_9—C5_9—C6_9	45.8	Fe10_10—O3_10—C5_10—C6_10	−47.5
C7_9—O4_9—C6_9—C5_9	172.9	C7_10—O4_10—C6_10—C5_10	−174.0
Fe9_9—O4_9—C6_9—C5_9	39.8	Fe10_10—O4_10—C6_10—C5_10	−42.5
O3_9—C5_9—C6_9—O4_9	−54.5	O3_10—C5_10—C6_10—O4_10	57.0
C6_9—O4_9—C7_9—C8_9	178.6	C6_10—O4_10—C7_10—C8_10	179.4
Fe9_9—O4_9—C7_9—C8_9	−47.1	Fe10_10—O4_10—C7_10—C8_10	48.1
O4_9—C7_9—C8_9—O5_9	43.9	C9_10—O5_10—C8_10—C7_10	−154.2
C9_9—O5_9—C8_9—C7_9	152.2	Fe10_10—O5_10—C8_10—C7_10	21.2
Fe9_9—O5_9—C8_9—C7_9	−24.0	O4_10—C7_10—C8_10—O5_10	−42.4
C8_9—O5_9—C9_9—C10_9	153.9	C8_10—O5_10—C9_10—C10_10	−156.3
Fe9_9—O5_9—C9_9—C10_9	−29.8	Fe10_10—O5_10—C9_10—C10_10	28.2
C1_9—O1_9—C10_9—C9_9	−178.9	C1_10—O1_10—C10_10—C9_10	178.1
Fe9_9—O1_9—C10_9—C9_9	−48.4	Fe10_10—O1_10—C10_10—C9_10	47.7
O5_9—C9_9—C10_9—O1_9	49.4	O5_10—C9_10—C10_10—O1_10	−48.1
O6_4—Fe4_4—O1_4—C10_4	−117.0 (3)	O7_8—Fe8_8—O1_8—C10_8	−61.9 (3)
O7_4—Fe4_4—O1_4—C10_4	62.6 (3)	O6_8—Fe8_8—O1_8—C10_8	115.2 (3)
O5_4—Fe4_4—O1_4—C10_4	−26.1 (3)	O5_8—Fe8_8—O1_8—C10_8	27.3 (3)
O2_4—Fe4_4—O1_4—C10_4	144.8 (4)	O3_8—Fe8_8—O1_8—C10_8	−164.6 (3)
O3_4—Fe4_4—O1_4—C10_4	165.6 (3)	O2_8—Fe8_8—O1_8—C10_8	−144.2 (4)
O4_4—Fe4_4—O1_4—C10_4	−26.9 (4)	O4_8—Fe8_8—O1_8—C10_8	27.4 (4)
O6_4—Fe4_4—O1_4—C1_4	114.6 (3)	O7_8—Fe8_8—O1_8—C1_8	65.7 (3)
O7_4—Fe4_4—O1_4—C1_4	−65.8 (3)	O6_8—Fe8_8—O1_8—C1_8	−117.2 (3)
O5_4—Fe4_4—O1_4—C1_4	−154.6 (3)	O5_8—Fe8_8—O1_8—C1_8	154.9 (4)
O2_4—Fe4_4—O1_4—C1_4	16.4 (3)	O3_8—Fe8_8—O1_8—C1_8	−37.1 (5)
O3_4—Fe4_4—O1_4—C1_4	37.2 (4)	O2_8—Fe8_8—O1_8—C1_8	−16.6 (3)
O4_4—Fe4_4—O1_4—C1_4	−155.3 (3)	O4_8—Fe8_8—O1_8—C1_8	154.9 (3)
O6_4—Fe4_4—O2_4—C3_4	64.1 (3)	O7_8—Fe8_8—O2_8—C2_8	−108.5 (4)
O7_4—Fe4_4—O2_4—C3_4	−116.7 (3)	O6_8—Fe8_8—O2_8—C2_8	70.0 (4)
O5_4—Fe4_4—O2_4—C3_4	165.2 (3)	O5_8—Fe8_8—O2_8—C2_8	−29.8 (5)
O3_4—Fe4_4—O2_4—C3_4	−16.8 (3)	O1_8—Fe8_8—O2_8—C2_8	−16.0 (3)
O4_4—Fe4_4—O2_4—C3_4	−38.1 (5)	O3_8—Fe8_8—O2_8—C2_8	151.7 (4)
O1_4—Fe4_4—O2_4—C3_4	150.7 (4)	O4_8—Fe8_8—O2_8—C2_8	172.8 (3)
O6_4—Fe4_4—O2_4—C2_4	−69.1 (4)	O7_8—Fe8_8—O2_8—C3_8	117.5 (3)
O7_4—Fe4_4—O2_4—C2_4	110.1 (4)	O6_8—Fe8_8—O2_8—C3_8	−63.9 (3)
O5_4—Fe4_4—O2_4—C2_4	32.0 (5)	O5_8—Fe8_8—O2_8—C3_8	−163.7 (3)
O3_4—Fe4_4—O2_4—C2_4	−150.0 (4)	O1_8—Fe8_8—O2_8—C3_8	−149.9 (4)
O4_4—Fe4_4—O2_4—C2_4	−171.3 (3)	O3_8—Fe8_8—O2_8—C3_8	17.7 (3)
O1_4—Fe4_4—O2_4—C2_4	17.5 (3)	O4_8—Fe8_8—O2_8—C3_8	38.9 (5)
O6_4—Fe4_4—O3_4—C5_4	111.8 (4)	O7_8—Fe8_8—O3_8—C5_8	64.9 (4)
O7_4—Fe4_4—O3_4—C5_4	−68.3 (4)	O6_8—Fe8_8—O3_8—C5_8	−113.1 (4)
O5_4—Fe4_4—O3_4—C5_4	29.7 (5)	O5_8—Fe8_8—O3_8—C5_8	−33.5 (5)
O2_4—Fe4_4—O3_4—C5_4	−148.3 (4)	O1_8—Fe8_8—O3_8—C5_8	165.5 (4)
O4_4—Fe4_4—O3_4—C5_4	18.9 (3)	O2_8—Fe8_8—O3_8—C5_8	145.1 (4)
O1_4—Fe4_4—O3_4—C5_4	−169.1 (3)	O4_8—Fe8_8—O3_8—C5_8	−22.2 (4)
O6_4—Fe4_4—O3_4—C4_4	−116.6 (3)	O7_8—Fe8_8—O3_8—C4_8	−64.8 (3)
O7_4—Fe4_4—O3_4—C4_4	63.3 (3)	O6_8—Fe8_8—O3_8—C4_8	117.1 (3)
O5_4—Fe4_4—O3_4—C4_4	161.3 (3)	O5_8—Fe8_8—O3_8—C4_8	−163.3 (3)
O2_4—Fe4_4—O3_4—C4_4	−16.7 (3)	O1_8—Fe8_8—O3_8—C4_8	35.7 (5)
O4_4—Fe4_4—O3_4—C4_4	150.5 (3)	O2_8—Fe8_8—O3_8—C4_8	15.3 (3)
O1_4—Fe4_4—O3_4—C4_4	−37.5 (4)	O4_8—Fe8_8—O3_8—C4_8	−152.0 (3)
O6_4—Fe4_4—O4_4—C7_4	59.6 (3)	O7_8—Fe8_8—O4_8—C6_8	−109.1 (4)
O7_4—Fe4_4—O4_4—C7_4	−119.7 (3)	O6_8—Fe8_8—O4_8—C6_8	73.5 (4)
O5_4—Fe4_4—O4_4—C7_4	−30.6 (3)	O5_8—Fe8_8—O4_8—C6_8	161.3 (4)
O2_4—Fe4_4—O4_4—C7_4	163.9 (3)	O1_8—Fe8_8—O4_8—C6_8	161.2 (3)
O3_4—Fe4_4—O4_4—C7_4	142.5 (3)	O3_8—Fe8_8—O4_8—C6_8	−11.4 (3)
O1_4—Fe4_4—O4_4—C7_4	−29.9 (4)	O2_8—Fe8_8—O4_8—C6_8	−32.6 (5)
O6_4—Fe4_4—O4_4—C6_4	−70.5 (4)	O7_8—Fe8_8—O4_8—C7_8	120.2 (3)
O7_4—Fe4_4—O4_4—C6_4	110.2 (4)	O6_8—Fe8_8—O4_8—C7_8	−57.1 (3)
O5_4—Fe4_4—O4_4—C6_4	−160.7 (4)	O5_8—Fe8_8—O4_8—C7_8	30.7 (3)
O2_4—Fe4_4—O4_4—C6_4	33.8 (5)	O1_8—Fe8_8—O4_8—C7_8	30.6 (4)
O3_4—Fe4_4—O4_4—C6_4	12.4 (3)	O3_8—Fe8_8—O4_8—C7_8	−142.1 (3)
O1_4—Fe4_4—O4_4—C6_4	−160.0 (3)	O2_8—Fe8_8—O4_8—C7_8	−163.2 (3)
O6_4—Fe4_4—O5_4—C8_4	−87.8 (4)	O7_8—Fe8_8—O5_8—C9_8	94.6 (4)
O7_4—Fe4_4—O5_4—C8_4	92.8 (4)	O6_8—Fe8_8—O5_8—C9_8	−85.7 (4)
O2_4—Fe4_4—O5_4—C8_4	168.8 (4)	O1_8—Fe8_8—O5_8—C9_8	4.1 (4)
O3_4—Fe4_4—O5_4—C8_4	−8.0 (5)	O3_8—Fe8_8—O5_8—C9_8	−164.3 (3)
O4_4—Fe4_4—O5_4—C8_4	2.9 (4)	O2_8—Fe8_8—O5_8—C9_8	18.0 (5)
O1_4—Fe4_4—O5_4—C8_4	−176.6 (4)	O4_8—Fe8_8—O5_8—C9_8	−175.9 (4)
O6_4—Fe4_4—O5_4—C9_4	83.7 (4)	O7_8—Fe8_8—O5_8—C8_8	−93.2 (4)
O7_4—Fe4_4—O5_4—C9_4	−95.8 (4)	O6_8—Fe8_8—O5_8—C8_8	86.5 (4)
O2_4—Fe4_4—O5_4—C9_4	−19.8 (5)	O1_8—Fe8_8—O5_8—C8_8	176.2 (4)
O3_4—Fe4_4—O5_4—C9_4	163.5 (3)	O3_8—Fe8_8—O5_8—C8_8	7.8 (5)
O4_4—Fe4_4—O5_4—C9_4	174.4 (4)	O2_8—Fe8_8—O5_8—C8_8	−169.9 (4)
O1_4—Fe4_4—O5_4—C9_4	−5.1 (4)	O4_8—Fe8_8—O5_8—C8_8	−3.7 (4)
C10_4—O1_4—C1_4—C2_4	−174.0 (4)	C10_8—O1_8—C1_8—C2_8	172.9 (4)
Fe4_4—O1_4—C1_4—C2_4	−44.8 (5)	Fe8_8—O1_8—C1_8—C2_8	45.0 (5)
C3_4—O2_4—C2_4—C1_4	−179.4 (5)	C3_8—O2_8—C2_8—C1_8	177.5 (5)
Fe4_4—O2_4—C2_4—C1_4	−46.0 (5)	Fe8_8—O2_8—C2_8—C1_8	44.2 (6)
O1_4—C1_4—C2_4—O2_4	57.7 (6)	O1_8—C1_8—C2_8—O2_8	−56.7 (6)
C2_4—O2_4—C3_4—C4_4	178.0 (4)	C2_8—O2_8—C3_8—C4_8	−179.7 (5)
Fe4_4—O2_4—C3_4—C4_4	44.5 (5)	Fe8_8—O2_8—C3_8—C4_8	−45.9 (5)
C5_4—O3_4—C4_4—C3_4	175.7 (4)	C5_8—O3_8—C4_8—C3_8	−172.9 (4)
Fe4_4—O3_4—C4_4—C3_4	45.0 (4)	Fe8_8—O3_8—C4_8—C3_8	−43.8 (5)
O2_4—C3_4—C4_4—O3_4	−57.6 (5)	O2_8—C3_8—C4_8—O3_8	57.3 (6)
C4_4—O3_4—C5_4—C6_4	−176.7 (4)	C4_8—O3_8—C5_8—C6_8	−179.5 (4)
Fe4_4—O3_4—C5_4—C6_4	−46.4 (5)	Fe8_8—O3_8—C5_8—C6_8	50.6 (5)
C7_4—O4_4—C6_4—C5_4	−170.5 (4)	C7_8—O4_8—C6_8—C5_8	171.2 (4)
Fe4_4—O4_4—C6_4—C5_4	−41.1 (5)	Fe8_8—O4_8—C6_8—C5_8	41.4 (5)
O3_4—C5_4—C6_4—O4_4	56.5 (6)	O3_8—C5_8—C6_8—O4_8	−59.6 (5)
C6_4—O4_4—C7_4—C8_4	−178.3 (4)	C6_8—O4_8—C7_8—C8_8	178.8 (4)
Fe4_4—O4_4—C7_4—C8_4	52.0 (5)	Fe8_8—O4_8—C7_8—C8_8	−51.3 (5)
C9_4—O5_4—C8_4—C7_4	−149.2 (5)	C9_8—O5_8—C8_8—C7_8	150.7 (5)
Fe4_4—O5_4—C8_4—C7_4	22.4 (6)	Fe8_8—O5_8—C8_8—C7_8	−21.5 (6)
O4_4—C7_4—C8_4—O5_4	−46.3 (6)	O4_8—C7_8—C8_8—O5_8	45.1 (6)
C8_4—O5_4—C9_4—C10_4	−156.2 (4)	C8_8—O5_8—C9_8—C10_8	156.1 (5)
Fe4_4—O5_4—C9_4—C10_4	32.1 (5)	Fe8_8—O5_8—C9_8—C10_8	−31.4 (5)
C1_4—O1_4—C10_4—C9_4	179.6 (4)	C1_8—O1_8—C10_8—C9_8	−179.7 (4)
Fe4_4—O1_4—C10_4—C9_4	50.4 (5)	Fe8_8—O1_8—C10_8—C9_8	−51.5 (5)
O5_4—C9_4—C10_4—O1_4	−50.9 (5)	O5_8—C9_8—C10_8—O1_8	51.8 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O6_1—H1W_1···O9_11	0.82 (1)	2.15 (2)	2.941 (6)	163 (4)
O6_1—H1W_1···O8_11	0.82 (1)	2.52 (3)	3.040 (6)	123 (3)
O6_1—H2W_1···O9_21^i	0.82 (1)	1.93 (2)	2.733 (6)	168 (5)
O6_1—H2W_1···O10_21^i	0.82 (1)	2.69 (3)	3.344 (6)	138 (4)
O7_1—H3W_1···O9_14^ii	0.82 (1)	1.98 (2)	2.730 (6)	151 (3)
O7_1—H3W_1···O10_14^ii	0.82 (1)	2.45 (3)	3.083 (6)	135 (3)
O7_1—H4W_1···O8_19	0.81 (1)	1.98 (2)	2.767 (5)	164 (4)
O6_2—H1W_2···O9_13^ii	0.82 (1)	1.87 (1)	2.680 (6)	170 (5)
O6_2—H1W_2···O10_13^ii	0.82 (1)	2.70 (3)	3.340 (6)	136 (4)
O6_2—H2W_2···O8_20	0.82 (1)	2.39 (2)	3.149 (6)	155 (4)
O6_2—H2W_2···O9_20	0.82 (1)	2.15 (2)	2.879 (5)	148 (4)
O7_2—H3W_2···O9_20^i	0.82 (1)	2.00 (1)	2.810 (6)	171 (4)
O7_2—H4W_2···O8_12	0.82 (1)	1.94 (1)	2.737 (5)	165 (4)
O7_2—H4W_2···O9_12	0.82 (1)	2.62 (3)	3.258 (5)	136 (4)
O6_3—H1W_3···O9_19^i	0.82 (1)	1.99 (2)	2.744 (6)	152 (4)
O6_3—H2W_3···O8_13	0.82 (1)	2.06 (2)	2.788 (6)	149 (4)
O6_3—H2W_3···O9_13	0.82 (1)	2.44 (3)	3.167 (6)	149 (4)
O7_3—H3W_3···O9_12^ii	0.83 (1)	1.90 (1)	2.705 (6)	165 (4)
O7_3—H3W_3···O10_12^ii	0.83 (1)	2.63 (3)	3.251 (6)	132 (3)
O7_3—H4W_3···O8_21	0.82 (1)	1.95 (1)	2.765 (5)	171 (4)
O7_3—H4W_3···O9_21	0.82 (1)	2.64 (4)	3.168 (6)	124 (4)
O6_4—H1W_4···O9_26^iii	0.82 (1)	1.93 (1)	2.743 (6)	175 (4)
O6_4—H1W_4···O10_26^iii	0.82 (1)	2.74 (3)	3.337 (6)	132 (4)
O6_4—H2W_4···O8_14	0.83 (1)	2.52 (3)	3.042 (5)	122 (3)
O6_4—H2W_4···O9_14	0.83 (1)	2.06 (2)	2.859 (5)	164 (4)
O7_4—H3W_4···O9_11^ii	0.82 (1)	1.95 (2)	2.724 (6)	157 (4)
O7_4—H3W_4···O10_11^ii	0.82 (1)	2.52 (3)	3.160 (6)	135 (3)
O7_4—H4W_4···O8_22	0.82 (1)	1.99 (1)	2.793 (5)	168 (4)
O6_5—H1W_5···O8_23	0.81 (1)	2.26 (1)	3.055 (5)	165 (4)
O6_5—H1W_5···O9_23	0.81 (1)	2.30 (3)	2.940 (5)	136 (4)
O6_5—H2W_5···O9_18^iv	0.82 (1)	1.89 (1)	2.696 (5)	171 (5)
O7_5—H3W_5···O9_25^iii	0.81 (1)	2.03 (1)	2.826 (6)	168 (4)
O7_5—H3W_5···O10_25^iii	0.81 (1)	2.65 (3)	3.139 (6)	120 (3)
O7_5—H4W_5···O8_15	0.81 (1)	1.95 (1)	2.737 (5)	163 (4)
O7_5—H4W_5···O9_15	0.81 (1)	2.74 (4)	3.266 (5)	124 (4)
O6_6—H1W_6···O8_16	0.82 (1)	2.07 (2)	2.816 (5)	151 (4)
O6_6—H1W_6···O9_16	0.82 (1)	2.40 (3)	3.093 (5)	143 (4)
O6_6—H2W_6···O9_24^iii	0.82 (1)	2.02 (2)	2.739 (6)	147 (3)
O7_6—H3W_6···O8_24	0.82 (1)	1.98 (2)	2.733 (5)	152 (4)
O7_6—H4W_6···O9_17^iv	0.82 (1)	1.89 (2)	2.676 (6)	159 (3)
O7_6—H4W_6···O10_17^iv	0.82 (1)	2.56 (3)	3.186 (6)	134 (4)
O6_7—H1W_7···O9_16^iv	0.82 (1)	1.87 (1)	2.671 (6)	164 (4)
O6_7—H1W_7···O10_16^iv	0.82 (1)	2.63 (3)	3.304 (6)	140 (3)
O6_7—H2W_7···O8_25	0.82 (1)	2.33 (1)	3.139 (5)	177 (4)
O6_7—H2W_7···O9_25	0.82 (1)	2.31 (3)	2.875 (5)	127 (3)
O7_7—H3W_7···O9_23^iii	0.82 (1)	1.98 (1)	2.791 (6)	171 (5)
O7_7—H3W_7···O10_23^iii	0.82 (1)	2.69 (4)	3.200 (5)	122 (3)
O7_7—H4W_7···O8_17	0.82 (1)	2.14 (3)	2.753 (5)	132 (3)
O7_7—H4W_7···O9_17	0.82 (1)	2.35 (2)	3.152 (5)	166 (3)
O6_8—H1W_8···O9_15^iv	0.83 (1)	1.90 (1)	2.722 (6)	173 (4)
O6_8—H2W_8···O8_26	0.81 (1)	2.02 (1)	2.816 (6)	165 (4)
O6_8—H2W_8···O9_26	0.81 (1)	2.48 (3)	3.111 (6)	136 (4)
O7_8—H3W_8···O9_22^iii	0.82 (1)	1.96 (2)	2.758 (6)	163 (4)
O7_8—H4W_8···O8_18	0.82 (1)	1.96 (2)	2.749 (5)	163 (4)
O7_8—H4W_8···O9_18	0.82 (1)	2.58 (3)	3.220 (5)	136 (4)

Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1/2, y+1/2, −z+3/2; (iv) −x+1/2, y−1/2, −z+3/2.

(MgZprime8) 'diaqua(15-crown-5)magnesium(II) nitrate'

Crystal data

C10H24O7Mg^2+·2(NO3^−)	F(000) = 6848
Mr = 404.62	Dx = 1.495 Mg m^−3
Monoclinic, B21	Cu Kα radiation, λ = 1.54178 Å
a = 14.597 (2) Å	Cell parameters from 9743 reflections
b = 14.135 (2) Å	θ = 4.9–65.3°
c = 70.201 (5) Å	µ = 1.52 mm^−1
β = 96.95 (2)°	T = 311 K
V = 14378 (3) Å^3	Block, colorless
Z = 32	0.20 × 0.15 × 0.15 mm

Data collection

Bruker-Nonius X8 Proteum diffractometer	22712 independent reflections
Radiation source: fine-focus rotating anode	10777 reflections with I > 2σ(I)
Graded multi-layer optics monochromator	Rint = 0.030
Detector resolution: 18 pixels mm^-1	θmax = 65.5°, θmin = 3.8°
ω and φ scans	h = −17→14
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004)	k = −16→16
Tmin = 0.751, Tmax = 0.804	l = −78→82
53583 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.058	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.181	w = 1/[σ^2(Fo^2) + (0.050P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.51	(Δ/σ)max = 0.002
22712 reflections	Δρmax = 0.48 e Å^−3
892 parameters	Δρmin = −0.35 e Å^−3
3244 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000071 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
O6_1	0.1786 (3)	0.6727 (3)	0.08060 (6)	0.0555 (2)
H1W_1	0.160 (3)	0.670 (4)	0.0692 (2)	0.083*
H2W_1	0.157 (3)	0.719 (3)	0.0851 (6)	0.083*
O7_1	0.3141 (3)	0.4434 (3)	0.10216 (6)	0.0552 (2)
H3W_1	0.314 (3)	0.3912 (17)	0.0973 (6)	0.083*
H4W_1	0.327 (3)	0.439 (4)	0.11369 (16)	0.083*
Mg1_1	0.24549 (12)	0.55524 (14)	0.09126 (2)	0.03647 (11)
O1_1	0.1280 (2)	0.5205 (3)	0.10744 (5)	0.04702 (19)
O2_1	0.1584 (2)	0.4540 (3)	0.07407 (5)	0.04969 (19)
O3_1	0.2977 (2)	0.5438 (3)	0.06335 (5)	0.05094 (19)
O4_1	0.3800 (2)	0.6296 (3)	0.09366 (5)	0.0557 (2)
O5_1	0.2689 (2)	0.6216 (3)	0.11839 (5)	0.04900 (19)
C1_1	0.0784 (4)	0.4373 (5)	0.10093 (8)	0.0643 (3)
H11_1	0.0181	0.4367	0.1054	0.077*
H12_1	0.1119	0.3813	0.1057	0.077*
C2_1	0.0687 (4)	0.4394 (5)	0.07947 (8)	0.0659 (3)
H21_1	0.0433	0.3801	0.0743	0.079*
H22_1	0.0277	0.4903	0.0746	0.079*
C3_1	0.1625 (4)	0.4562 (5)	0.05382 (7)	0.0581 (3)
H31_1	0.1296	0.5107	0.0480	0.070*
H32_1	0.1362	0.3992	0.0477	0.070*
C4_1	0.2638 (4)	0.4629 (4)	0.05206 (8)	0.0571 (3)
H41_1	0.2954	0.4058	0.0569	0.069*
H42_1	0.2737	0.4714	0.0388	0.069*
C5_1	0.3944 (4)	0.5595 (5)	0.06362 (8)	0.0693 (4)
H51_1	0.4099	0.5696	0.0507	0.083*
H52_1	0.4293	0.5059	0.0692	0.083*
C6_1	0.4149 (4)	0.6463 (5)	0.07564 (8)	0.0721 (4)
H61_1	0.4809	0.6577	0.0777	0.086*
H62_1	0.3851	0.7011	0.0693	0.086*
C7_1	0.3844 (4)	0.7098 (4)	0.10591 (8)	0.0657 (3)
H71_1	0.3473	0.7610	0.0999	0.079*
H72_1	0.4476	0.7316	0.1087	0.079*
C8_1	0.3477 (4)	0.6790 (5)	0.12396 (8)	0.0640 (3)
H81_1	0.3941	0.6433	0.1320	0.077*
H82_1	0.3306	0.7336	0.1311	0.077*
C9_1	0.2012 (4)	0.6170 (4)	0.13162 (7)	0.0527 (3)
H91_1	0.1586	0.6698	0.1296	0.063*
H92_1	0.2308	0.6190	0.1447	0.063*
C10_1	0.1516 (4)	0.5262 (4)	0.12778 (7)	0.0549 (3)
H101_1	0.1908	0.4735	0.1324	0.066*
H102_1	0.0964	0.5247	0.1342	0.066*
O6_2	0.3244 (3)	0.4387 (3)	0.23146 (6)	0.0555 (2)
H1W_2	0.344 (3)	0.396 (3)	0.2252 (6)	0.083*
H2W_2	0.346 (3)	0.430 (4)	0.2426 (2)	0.083*
O7_2	0.1856 (3)	0.6699 (3)	0.20957 (6)	0.0552 (2)
H3W_2	0.170 (3)	0.718 (2)	0.2147 (7)	0.083*
H4W_2	0.159 (3)	0.663 (4)	0.1989 (3)	0.083*
Mg2_2	0.25480 (12)	0.55265 (14)	0.22073 (2)	0.03647 (11)
O1_2	0.3746 (2)	0.5860 (3)	0.20476 (5)	0.04702 (19)
O2_2	0.3417 (2)	0.6533 (3)	0.23781 (5)	0.04969 (19)
O3_2	0.2037 (2)	0.5635 (3)	0.24877 (5)	0.05094 (19)
O4_2	0.1222 (2)	0.4735 (3)	0.21853 (5)	0.0557 (2)
O5_2	0.2340 (2)	0.4855 (3)	0.19355 (5)	0.04900 (19)
C1_2	0.4196 (4)	0.6728 (5)	0.21107 (8)	0.0643 (3)
H11_2	0.3819	0.7268	0.2066	0.077*
H12_2	0.4788	0.6782	0.2062	0.077*
C2_2	0.4325 (4)	0.6685 (5)	0.23271 (8)	0.0659 (3)
H21_2	0.4732	0.6169	0.2372	0.079*
H22_2	0.4581	0.7273	0.2381	0.079*
C3_2	0.3346 (4)	0.6529 (5)	0.25788 (7)	0.0581 (3)
H31_2	0.3586	0.7116	0.2637	0.070*
H32_2	0.3698	0.6008	0.2641	0.070*
C4_2	0.2348 (4)	0.6424 (4)	0.26021 (8)	0.0571 (3)
H41_2	0.2270	0.6313	0.2735	0.069*
H42_2	0.2008	0.6989	0.2558	0.069*
C5_2	0.1088 (4)	0.5408 (5)	0.24842 (9)	0.0693 (4)
H51_2	0.0707	0.5922	0.2428	0.083*
H52_2	0.0939	0.5300	0.2613	0.083*
C6_2	0.0917 (4)	0.4522 (5)	0.23651 (8)	0.0721 (4)
H61_2	0.1261	0.3994	0.2426	0.086*
H62_2	0.0266	0.4363	0.2349	0.086*
C7_2	0.1209 (4)	0.3964 (4)	0.20557 (8)	0.0657 (3)
H71_2	0.0584	0.3726	0.2026	0.079*
H72_2	0.1595	0.3455	0.2113	0.079*
C8_2	0.1555 (4)	0.4293 (5)	0.18797 (8)	0.0640 (3)
H81_2	0.1717	0.3758	0.1804	0.077*
H82_2	0.1086	0.4662	0.1803	0.077*
C9_2	0.2999 (4)	0.4912 (4)	0.18045 (7)	0.0527 (3)
H91_2	0.2698	0.4890	0.1674	0.063*
H92_2	0.3432	0.4390	0.1824	0.063*
C10_2	0.3491 (4)	0.5837 (4)	0.18427 (7)	0.0549 (3)
H101_2	0.4035	0.5867	0.1776	0.066*
H102_2	0.3089	0.6362	0.1801	0.066*
O6_3	0.1835 (3)	0.6741 (3)	0.33233 (6)	0.0555 (2)
H1W_3	0.175 (4)	0.7246 (19)	0.3374 (6)	0.083*
H2W_3	0.161 (4)	0.675 (4)	0.3212 (3)	0.083*
O7_3	0.3116 (3)	0.4376 (3)	0.35358 (6)	0.0552 (2)
H3W_3	0.335 (3)	0.398 (3)	0.3474 (6)	0.083*
H4W_3	0.334 (3)	0.431 (4)	0.3647 (2)	0.083*
Mg3_3	0.24663 (17)	0.5549 (2)	0.34245 (3)	0.03647 (11)	0.7324 (19)
O1_3	0.1273 (3)	0.5234 (3)	0.35815 (6)	0.04702 (19)	0.7324 (19)
O2_3	0.1591 (3)	0.4550 (3)	0.32517 (6)	0.04969 (19)	0.7324 (19)
O3_3	0.3006 (3)	0.5417 (4)	0.31472 (6)	0.05094 (19)	0.7324 (19)
O4_3	0.3840 (3)	0.6262 (3)	0.34559 (6)	0.0557 (2)	0.7324 (19)
O5_3	0.2709 (3)	0.6179 (3)	0.37013 (5)	0.04900 (19)	0.7324 (19)
C1_3	0.0774 (5)	0.4404 (5)	0.35172 (10)	0.0643 (3)	0.7324 (19)
H11_3	0.0170	0.4400	0.3562	0.077*	0.7324 (19)
H12_3	0.1106	0.3841	0.3565	0.077*	0.7324 (19)
C2_3	0.0683 (4)	0.4439 (6)	0.32979 (9)	0.0659 (3)	0.7324 (19)
H21_3	0.0411	0.3859	0.3243	0.079*	0.7324 (19)
H22_3	0.0300	0.4968	0.3250	0.079*	0.7324 (19)
C3_3	0.1656 (5)	0.4543 (6)	0.30485 (8)	0.0581 (3)	0.7324 (19)
H31_3	0.1316	0.5069	0.2986	0.070*	0.7324 (19)
H32_3	0.1410	0.3958	0.2991	0.070*	0.7324 (19)
C4_3	0.2660 (5)	0.4629 (5)	0.30304 (9)	0.0571 (3)	0.7324 (19)
H41_3	0.2981	0.4053	0.3074	0.069*	0.7324 (19)
H42_3	0.2752	0.4737	0.2898	0.069*	0.7324 (19)
C5_3	0.3969 (4)	0.5564 (6)	0.31550 (10)	0.0693 (4)	0.7324 (19)
H51_3	0.4137	0.5664	0.3027	0.083*	0.7324 (19)
H52_3	0.4304	0.5019	0.3211	0.083*	0.7324 (19)
C6_3	0.4193 (5)	0.6422 (6)	0.32763 (10)	0.0721 (4)	0.7324 (19)
H61_3	0.4855	0.6518	0.3297	0.086*	0.7324 (19)
H62_3	0.3909	0.6978	0.3214	0.086*	0.7324 (19)
C7_3	0.3883 (5)	0.7057 (5)	0.35809 (9)	0.0657 (3)	0.7324 (19)
H71_3	0.3528	0.7579	0.3520	0.079*	0.7324 (19)
H72_3	0.4517	0.7261	0.3613	0.079*	0.7324 (19)
C8_3	0.3488 (5)	0.6746 (6)	0.37574 (9)	0.0640 (3)	0.7324 (19)
H81_3	0.3944	0.6389	0.3840	0.077*	0.7324 (19)
H82_3	0.3312	0.7293	0.3828	0.077*	0.7324 (19)
C9_3	0.2018 (5)	0.6192 (5)	0.38240 (9)	0.0527 (3)	0.7324 (19)
H91_3	0.1618	0.6736	0.3797	0.063*	0.7324 (19)
H92_3	0.2290	0.6222	0.3957	0.063*	0.7324 (19)
C10_3	0.1484 (5)	0.5291 (5)	0.37860 (8)	0.0549 (3)	0.7324 (19)
H101_3	0.1850	0.4751	0.3835	0.066*	0.7324 (19)
H102_3	0.0922	0.5306	0.3847	0.066*	0.7324 (19)
Mg9_9	0.2504 (3)	0.5531 (3)	0.34530 (5)	0.03647 (11)	0.2676 (19)
O1_9	0.3716 (3)	0.5831 (4)	0.32992 (7)	0.04702 (19)	0.2676 (19)
O2_9	0.3402 (4)	0.6500 (4)	0.36288 (7)	0.04969 (19)	0.2676 (19)
O3_9	0.1976 (4)	0.5653 (5)	0.37332 (6)	0.05094 (19)	0.2676 (19)
O4_9	0.1141 (3)	0.4812 (5)	0.34287 (8)	0.0557 (2)	0.2676 (19)
O5_9	0.2272 (4)	0.4880 (4)	0.31820 (6)	0.04900 (19)	0.2676 (19)
C1_9	0.4214 (4)	0.6654 (5)	0.33644 (9)	0.0643 (3)	0.2676 (19)
H1A_9	0.3879	0.7218	0.3318	0.077*	0.2676 (19)
H1B_9	0.4813	0.6661	0.3318	0.077*	0.2676 (19)
C2_9	0.4322 (4)	0.6629 (5)	0.35746 (9)	0.0659 (3)	0.2676 (19)
H2A_9	0.4721	0.6110	0.3622	0.079*	0.2676 (19)
H2B_9	0.4589	0.7216	0.3627	0.079*	0.2676 (19)
C3_9	0.3330 (5)	0.6486 (6)	0.38308 (7)	0.0581 (3)	0.2676 (19)
H3A_9	0.3599	0.7053	0.3892	0.070*	0.2676 (19)
H3B_9	0.3646	0.5938	0.3891	0.070*	0.2676 (19)
C4_9	0.2325 (5)	0.6439 (6)	0.38474 (7)	0.0571 (3)	0.2676 (19)
H4A_9	0.2222	0.6347	0.3980	0.069*	0.2676 (19)
H4B_9	0.2022	0.7018	0.3801	0.069*	0.2676 (19)
C5_9	0.1030 (4)	0.5512 (6)	0.37292 (9)	0.0693 (4)	0.2676 (19)
H5A_9	0.0692	0.6058	0.3674	0.083*	0.2676 (19)
H5B_9	0.0872	0.5411	0.3858	0.083*	0.2676 (19)
C6_9	0.0797 (4)	0.4639 (6)	0.36051 (9)	0.0721 (4)	0.2676 (19)
H6A_9	0.1086	0.4082	0.3667	0.086*	0.2676 (19)
H6B_9	0.0135	0.4541	0.3585	0.086*	0.2676 (19)
C7_9	0.1097 (4)	0.4036 (5)	0.32963 (9)	0.0657 (3)	0.2676 (19)
H7A_9	0.0463	0.3826	0.3266	0.079*	0.2676 (19)
H7B_9	0.1460	0.3509	0.3353	0.079*	0.2676 (19)
C8_9	0.1455 (5)	0.4347 (6)	0.31240 (8)	0.0640 (3)	0.2676 (19)
H8A_9	0.1597	0.3806	0.3048	0.077*	0.2676 (19)
H8B_9	0.1003	0.4736	0.3048	0.077*	0.2676 (19)
C9_9	0.2956 (5)	0.4910 (6)	0.30535 (7)	0.0527 (3)	0.2676 (19)
H9A_9	0.2667	0.4898	0.2922	0.063*	0.2676 (19)
H9B_9	0.3364	0.4368	0.3074	0.063*	0.2676 (19)
C10_9	0.3488 (5)	0.5809 (6)	0.30929 (7)	0.0549 (3)	0.2676 (19)
H10A_9	0.4044	0.5806	0.3030	0.066*	0.2676 (19)
H10B_9	0.3116	0.6353	0.3049	0.066*	0.2676 (19)
O6_4	0.1772 (3)	0.6721 (3)	0.45632 (6)	0.0555 (2)
H1W_4	0.163 (4)	0.722 (2)	0.4611 (6)	0.083*
H2W_4	0.173 (3)	0.680 (3)	0.44466 (15)	0.083*
O7_4	0.3176 (3)	0.4454 (3)	0.47865 (6)	0.0552 (2)
H3W_4	0.334 (3)	0.402 (3)	0.4723 (6)	0.083*
H4W_4	0.350 (3)	0.446 (4)	0.4889 (3)	0.083*
Mg4_4	0.24647 (12)	0.55567 (14)	0.46743 (2)	0.03647 (11)
O1_4	0.1293 (2)	0.5198 (3)	0.48340 (5)	0.04702 (19)
O2_4	0.1615 (2)	0.4516 (3)	0.45041 (5)	0.04969 (19)
O3_4	0.2977 (2)	0.5448 (3)	0.43946 (5)	0.05094 (19)
O4_4	0.3793 (2)	0.6340 (3)	0.46913 (5)	0.0557 (2)
O5_4	0.2686 (2)	0.6227 (3)	0.49423 (5)	0.04900 (19)
C1_4	0.0823 (4)	0.4347 (5)	0.47723 (8)	0.0643 (3)
H11_4	0.0220	0.4326	0.4817	0.077*
H12_4	0.1174	0.3799	0.4822	0.077*
C2_4	0.0725 (4)	0.4351 (5)	0.45574 (8)	0.0659 (3)
H21_4	0.0488	0.3748	0.4507	0.079*
H22_4	0.0303	0.4846	0.4507	0.079*
C3_4	0.1665 (4)	0.4529 (5)	0.43021 (7)	0.0581 (3)
H31_4	0.1317	0.5057	0.4242	0.070*
H32_4	0.1423	0.3947	0.4243	0.070*
C4_4	0.2673 (4)	0.4632 (4)	0.42830 (8)	0.0571 (3)
H41_4	0.3010	0.4074	0.4331	0.069*
H42_4	0.2765	0.4722	0.4150	0.069*
C5_4	0.3924 (4)	0.5670 (5)	0.43898 (8)	0.0693 (4)
H51_4	0.4043	0.5797	0.4259	0.083*
H52_4	0.4311	0.5148	0.4440	0.083*
C6_4	0.4117 (4)	0.6528 (5)	0.45118 (8)	0.0721 (4)
H61_4	0.4774	0.6659	0.4530	0.086*
H62_4	0.3800	0.7073	0.4451	0.086*
C7_4	0.3814 (4)	0.7141 (4)	0.48162 (8)	0.0657 (3)
H71_4	0.3422	0.7640	0.4757	0.079*
H72_4	0.4438	0.7383	0.4843	0.079*
C8_4	0.3471 (4)	0.6818 (5)	0.49983 (8)	0.0640 (3)
H81_4	0.3947	0.6465	0.5076	0.077*
H82_4	0.3297	0.7356	0.5072	0.077*
C9_4	0.2013 (4)	0.6184 (4)	0.50739 (7)	0.0527 (3)
H91_4	0.1588	0.6713	0.5053	0.063*
H92_4	0.2310	0.6207	0.5205	0.063*
C10_4	0.1510 (4)	0.5270 (4)	0.50368 (7)	0.0549 (3)
H101_4	0.1895	0.4744	0.5086	0.066*
H102_4	0.0950	0.5266	0.5099	0.066*
O6_5	0.3233 (3)	0.4369 (3)	0.60665 (6)	0.0555 (2)
H1W_5	0.335 (3)	0.423 (3)	0.6179 (2)	0.083*
H2W_5	0.336 (4)	0.391 (3)	0.6005 (6)	0.083*
O7_5	0.1892 (3)	0.6723 (3)	0.58506 (6)	0.0552 (2)
H3W_5	0.171 (3)	0.713 (3)	0.5918 (5)	0.083*
H4W_5	0.156 (3)	0.673 (4)	0.5748 (3)	0.083*
Mg5_5	0.25544 (11)	0.55361 (14)	0.59620 (2)	0.03647 (11)
O1_5	0.3757 (2)	0.5853 (3)	0.58024 (5)	0.04702 (19)
O2_5	0.3438 (2)	0.6525 (3)	0.61334 (5)	0.04969 (19)
O3_5	0.2037 (2)	0.5649 (3)	0.62415 (5)	0.05094 (19)
O4_5	0.1217 (2)	0.4783 (3)	0.59350 (5)	0.0557 (2)
O5_5	0.2339 (2)	0.4872 (3)	0.56888 (5)	0.04900 (19)
C1_5	0.4216 (4)	0.6708 (5)	0.58682 (8)	0.0643 (3)
H11_5	0.3842	0.7252	0.5825	0.077*
H12_5	0.4805	0.6759	0.5818	0.077*
C2_5	0.4358 (3)	0.6668 (5)	0.60841 (8)	0.0659 (3)
H21_5	0.4760	0.6148	0.6129	0.079*
H22_5	0.4619	0.7255	0.6138	0.079*
C3_5	0.3361 (4)	0.6510 (5)	0.63366 (7)	0.0581 (3)
H31_5	0.3615	0.7085	0.6397	0.070*
H32_5	0.3695	0.5974	0.6397	0.070*
C4_5	0.2362 (4)	0.6432 (4)	0.63572 (7)	0.0571 (3)
H41_5	0.2272	0.6324	0.6490	0.069*
H42_5	0.2038	0.7006	0.6313	0.069*
C5_5	0.1067 (4)	0.5478 (5)	0.62310 (8)	0.0693 (4)
H51_5	0.0724	0.6008	0.6171	0.083*
H52_5	0.0889	0.5392	0.6359	0.083*
C6_5	0.0873 (4)	0.4600 (5)	0.61140 (8)	0.0721 (4)
H61_5	0.1186	0.4060	0.6178	0.086*
H62_5	0.0216	0.4472	0.6094	0.086*
C7_5	0.1174 (4)	0.4009 (4)	0.58064 (8)	0.0657 (3)
H71_5	0.0539	0.3804	0.5775	0.079*
H72_5	0.1531	0.3483	0.5865	0.079*
C8_5	0.1550 (4)	0.4314 (5)	0.56310 (8)	0.0640 (3)
H81_5	0.1717	0.3768	0.5559	0.077*
H82_5	0.1094	0.4681	0.5550	0.077*
C9_5	0.3010 (4)	0.4930 (4)	0.55591 (7)	0.0527 (3)
H91_5	0.2717	0.4910	0.5428	0.063*
H92_5	0.3441	0.4407	0.5579	0.063*
C10_5	0.3501 (4)	0.5852 (4)	0.55990 (7)	0.0549 (3)
H101_5	0.4042	0.5891	0.5532	0.066*
H102_5	0.3096	0.6381	0.5560	0.066*
O6_6	0.1832 (3)	0.6735 (3)	0.70613 (6)	0.0555 (2)
H1W_6	0.156 (3)	0.675 (4)	0.6953 (3)	0.083*
H2W_6	0.157 (3)	0.713 (3)	0.7120 (6)	0.083*
O7_6	0.3128 (3)	0.4397 (3)	0.72756 (6)	0.0552 (2)
H3W_6	0.330 (3)	0.437 (4)	0.73910 (18)	0.083*
H4W_6	0.314 (3)	0.3853 (14)	0.7235 (6)	0.083*
Mg6_6	0.24686 (12)	0.55468 (14)	0.71671 (2)	0.03647 (11)
O1_6	0.1276 (2)	0.5218 (3)	0.73233 (5)	0.04702 (19)
O2_6	0.1594 (2)	0.4550 (3)	0.69920 (5)	0.04969 (19)
O3_6	0.3006 (2)	0.5424 (3)	0.68887 (5)	0.05094 (19)
O4_6	0.3839 (2)	0.6264 (3)	0.71934 (5)	0.0557 (2)
O5_6	0.2701 (2)	0.6200 (3)	0.74388 (5)	0.04900 (19)
C1_6	0.0771 (4)	0.4385 (5)	0.72598 (8)	0.0643 (3)
H11_6	0.0164	0.4389	0.7303	0.077*
H12_6	0.1097	0.3821	0.7309	0.077*
C2_6	0.0694 (4)	0.4419 (5)	0.70447 (8)	0.0659 (3)
H21_6	0.0432	0.3834	0.6991	0.079*
H22_6	0.0297	0.4938	0.6996	0.079*
C3_6	0.1653 (4)	0.4557 (5)	0.67919 (7)	0.0581 (3)
H31_6	0.1324	0.5095	0.6731	0.070*
H32_6	0.1394	0.3981	0.6732	0.070*
C4_6	0.2661 (4)	0.4624 (4)	0.67746 (8)	0.0571 (3)
H41_6	0.2975	0.4050	0.6822	0.069*
H42_6	0.2760	0.4715	0.6642	0.069*
C5_6	0.3970 (4)	0.5564 (5)	0.68931 (8)	0.0693 (4)
H51_6	0.4131	0.5674	0.6765	0.083*
H52_6	0.4308	0.5017	0.6947	0.083*
C6_6	0.4185 (4)	0.6417 (5)	0.70170 (8)	0.0721 (4)
H61_6	0.4847	0.6517	0.7038	0.086*
H62_6	0.3901	0.6974	0.6954	0.086*
C7_6	0.3879 (4)	0.7058 (4)	0.73203 (8)	0.0657 (3)
H71_6	0.3517	0.7577	0.7260	0.079*
H72_6	0.4512	0.7269	0.7351	0.079*
C8_6	0.3503 (4)	0.6754 (5)	0.74962 (8)	0.0640 (3)
H81_6	0.3957	0.6383	0.7576	0.077*
H82_6	0.3344	0.7301	0.7569	0.077*
C9_6	0.2022 (4)	0.6181 (4)	0.75673 (7)	0.0527 (3)
H91_6	0.1613	0.6722	0.7546	0.063*
H92_6	0.2311	0.6198	0.7699	0.063*
C10_6	0.1498 (4)	0.5290 (4)	0.75292 (7)	0.0549 (3)
H101_6	0.1868	0.4753	0.7578	0.066*
H102_6	0.0938	0.5302	0.7591	0.066*
O6_7	0.3217 (3)	0.4426 (3)	0.85535 (6)	0.0555 (2)
H1W_7	0.342 (3)	0.403 (3)	0.8483 (5)	0.083*
H2W_7	0.351 (3)	0.437 (4)	0.8660 (3)	0.083*
O7_7	0.1801 (3)	0.6696 (3)	0.83333 (6)	0.0552 (2)
H3W_7	0.166 (4)	0.7227 (16)	0.8366 (6)	0.083*
H4W_7	0.166 (3)	0.668 (3)	0.82171 (17)	0.083*
Mg7_7	0.25174 (18)	0.5539 (2)	0.84504 (3)	0.03647 (11)	0.7375 (19)
O1_7	0.3718 (3)	0.5870 (3)	0.82910 (6)	0.04702 (19)	0.7375 (19)
O2_7	0.3376 (3)	0.6559 (3)	0.86206 (6)	0.04969 (19)	0.7375 (19)
O3_7	0.2003 (3)	0.5640 (3)	0.87273 (6)	0.05094 (19)	0.7375 (19)
O4_7	0.1204 (3)	0.4723 (3)	0.84279 (6)	0.0557 (2)	0.7375 (19)
O5_7	0.2308 (3)	0.4870 (3)	0.81783 (6)	0.04900 (19)	0.7375 (19)
C1_7	0.4174 (5)	0.6730 (5)	0.83545 (10)	0.0643 (3)	0.7375 (19)
H11_7	0.3808	0.7273	0.8307	0.077*	0.7375 (19)
H12_7	0.4772	0.6770	0.8308	0.077*	0.7375 (19)
C2_7	0.4284 (4)	0.6705 (6)	0.85723 (9)	0.0659 (3)	0.7375 (19)
H21_7	0.4690	0.6193	0.8621	0.079*	0.7375 (19)
H22_7	0.4536	0.7298	0.8625	0.079*	0.7375 (19)
C3_7	0.3303 (5)	0.6560 (6)	0.88219 (8)	0.0581 (3)	0.7375 (19)
H31_7	0.3534	0.7150	0.8880	0.070*	0.7375 (19)
H32_7	0.3654	0.6042	0.8885	0.070*	0.7375 (19)
C4_7	0.2293 (5)	0.6447 (5)	0.88387 (9)	0.0571 (3)	0.7375 (19)
H41_7	0.2195	0.6354	0.8972	0.069*	0.7375 (19)
H42_7	0.1953	0.7004	0.8790	0.069*	0.7375 (19)
C5_7	0.1079 (5)	0.5375 (6)	0.87320 (10)	0.0693 (4)	0.7375 (19)
H51_7	0.0669	0.5878	0.8681	0.083*	0.7375 (19)
H52_7	0.0965	0.5250	0.8863	0.083*	0.7375 (19)
C6_7	0.0912 (5)	0.4494 (6)	0.86116 (9)	0.0721 (4)	0.7375 (19)
H61_7	0.1268	0.3968	0.8670	0.086*	0.7375 (19)
H62_7	0.0264	0.4325	0.8597	0.086*	0.7375 (19)
C7_7	0.1204 (5)	0.3938 (5)	0.83020 (9)	0.0657 (3)	0.7375 (19)
H71_7	0.0584	0.3687	0.8273	0.079*	0.7375 (19)
H72_7	0.1601	0.3442	0.8361	0.079*	0.7375 (19)
C8_7	0.1549 (5)	0.4279 (6)	0.81225 (9)	0.0640 (3)	0.7375 (19)
H81_7	0.1735	0.3748	0.8049	0.077*	0.7375 (19)
H82_7	0.1070	0.4627	0.8044	0.077*	0.7375 (19)
C9_7	0.2998 (5)	0.4906 (5)	0.80513 (9)	0.0527 (3)	0.7375 (19)
H91_7	0.2716	0.4867	0.7919	0.063*	0.7375 (19)
H92_7	0.3426	0.4384	0.8076	0.063*	0.7375 (19)
C10_7	0.3491 (5)	0.5830 (5)	0.80864 (8)	0.0549 (3)	0.7375 (19)
H101_7	0.4045	0.5846	0.8023	0.066*	0.7375 (19)
H102_7	0.3096	0.6354	0.8041	0.066*	0.7375 (19)
Mg10_10	0.2466 (3)	0.5546 (3)	0.84262 (5)	0.03647 (11)	0.262 (2)
O1_10	0.1298 (3)	0.5179 (5)	0.85911 (7)	0.0470 (2)	0.2625 (19)
O2_10	0.1623 (4)	0.4507 (4)	0.82585 (7)	0.04969 (19)	0.2625 (19)
O3_10	0.2971 (4)	0.5449 (5)	0.81460 (6)	0.05094 (19)	0.2625 (19)
O4_10	0.3787 (3)	0.6343 (5)	0.84468 (8)	0.0557 (2)	0.2625 (19)
O5_10	0.2678 (4)	0.6224 (4)	0.86974 (6)	0.04900 (19)	0.2625 (19)
C1_10	0.0838 (4)	0.4300 (5)	0.85265 (9)	0.0643 (3)	0.2625 (19)
H1A_10	0.0239	0.4255	0.8572	0.077*	0.2625 (19)
H1B_10	0.1207	0.3758	0.8574	0.077*	0.2625 (19)
C2_10	0.0732 (4)	0.4330 (6)	0.83080 (9)	0.0659 (3)	0.2625 (19)
H2A_10	0.0497	0.3732	0.8255	0.079*	0.2625 (19)
H2B_10	0.0310	0.4830	0.8260	0.079*	0.2625 (19)
C3_10	0.1660 (5)	0.4510 (6)	0.80581 (7)	0.0581 (3)	0.2625 (19)
H3A_10	0.1296	0.5028	0.7998	0.070*	0.2625 (19)
H3B_10	0.1424	0.3920	0.8001	0.070*	0.2625 (19)
C4_10	0.2663 (5)	0.4632 (6)	0.80330 (7)	0.0571 (3)	0.2625 (19)
H4A_10	0.3014	0.4076	0.8078	0.069*	0.2625 (19)
H4B_10	0.2735	0.4733	0.7899	0.069*	0.2625 (19)
C5_10	0.3948 (4)	0.5655 (6)	0.81503 (9)	0.0693 (4)	0.2625 (19)
H5A_10	0.4107	0.5751	0.8021	0.083*	0.2625 (19)
H5B_10	0.4319	0.5141	0.8210	0.083*	0.2625 (19)
C6_10	0.4098 (4)	0.6532 (6)	0.82652 (9)	0.0721 (4)	0.2625 (19)
H6A_10	0.4747	0.6699	0.8282	0.086*	0.2625 (19)
H6B_10	0.3752	0.7052	0.8201	0.086*	0.2625 (19)
C7_10	0.3799 (5)	0.7147 (5)	0.85662 (10)	0.0657 (3)	0.2625 (19)
H7A_10	0.3406	0.7640	0.8505	0.079*	0.2625 (19)
H7B_10	0.4421	0.7393	0.8594	0.079*	0.2625 (19)
C8_10	0.3440 (5)	0.6823 (6)	0.87510 (8)	0.0640 (3)	0.2625 (19)
H8A_10	0.3918	0.6485	0.8832	0.077*	0.2625 (19)
H8B_10	0.3252	0.7364	0.8822	0.077*	0.2625 (19)
C9_10	0.2031 (5)	0.6163 (6)	0.88306 (7)	0.0527 (3)	0.2625 (19)
H9A_10	0.1596	0.6684	0.8813	0.063*	0.2625 (19)
H9B_10	0.2341	0.6182	0.8961	0.063*	0.2625 (19)
C10_10	0.1546 (5)	0.5243 (6)	0.87924 (7)	0.0549 (3)	0.2625 (19)
H10A_10	0.1950	0.4723	0.8837	0.066*	0.2625 (19)
H10B_10	0.1000	0.5217	0.8858	0.066*	0.2625 (19)
O6_8	0.3155 (3)	0.4365 (3)	0.98052 (6)	0.0555 (2)
H1W_8	0.336 (3)	0.398 (3)	0.9734 (5)	0.083*
H2W_8	0.333 (3)	0.419 (3)	0.9914 (3)	0.083*
O7_8	0.1870 (3)	0.6733 (3)	0.95896 (6)	0.0552 (2)
H3W_8	0.176 (3)	0.720 (2)	0.9653 (6)	0.083*
H4W_8	0.149 (2)	0.674 (4)	0.9495 (4)	0.083*
Mg8_8	0.25117 (12)	0.55447 (14)	0.97021 (2)	0.03647 (11)
O1_8	0.3736 (2)	0.5833 (3)	0.95486 (5)	0.04702 (19)
O2_8	0.3406 (2)	0.6515 (3)	0.98772 (5)	0.04969 (19)
O3_8	0.1997 (2)	0.5659 (3)	0.99819 (5)	0.05094 (19)
O4_8	0.1170 (2)	0.4818 (3)	0.96734 (5)	0.0557 (2)
O5_8	0.2298 (2)	0.4886 (3)	0.94293 (5)	0.04900 (19)
C1_8	0.4220 (4)	0.6681 (5)	0.96157 (8)	0.0643 (3)
H11_8	0.3874	0.7237	0.9569	0.077*
H12_8	0.4822	0.6703	0.9570	0.077*
C2_8	0.4321 (4)	0.6649 (5)	0.98303 (8)	0.0659 (3)
H21_8	0.4717	0.6130	0.9878	0.079*
H22_8	0.4579	0.7236	0.9884	0.079*
C3_8	0.3326 (4)	0.6509 (5)	1.00789 (7)	0.0581 (3)
H31_8	0.3585	0.7083	1.0139	0.070*
H32_8	0.3650	0.5970	1.0140	0.070*
C4_8	0.2324 (4)	0.6448 (4)	1.00961 (8)	0.0571 (3)
H41_8	0.2222	0.6353	1.0229	0.069*
H42_8	0.2010	0.7022	1.0049	0.069*
C5_8	0.1020 (4)	0.5504 (5)	0.99721 (8)	0.0693 (4)
H51_8	0.0682	0.6039	0.9913	0.083*
H52_8	0.0842	0.5412	1.0099	0.083*
C6_8	0.0830 (4)	0.4627 (5)	0.98525 (8)	0.0721 (4)
H61_8	0.1145	0.4086	0.9915	0.086*
H62_8	0.0173	0.4496	0.9833	0.086*
C7_8	0.1121 (4)	0.4033 (4)	0.95474 (8)	0.0657 (3)
H71_8	0.0486	0.3826	0.9518	0.079*
H72_8	0.1482	0.3511	0.9606	0.079*
C8_8	0.1496 (4)	0.4340 (5)	0.93687 (8)	0.0640 (3)
H81_8	0.1653	0.3795	0.9295	0.077*
H82_8	0.1045	0.4718	0.9289	0.077*
C9_8	0.2977 (4)	0.4928 (4)	0.93002 (7)	0.0527 (3)
H91_8	0.2686	0.4932	0.9168	0.063*
H92_8	0.3385	0.4385	0.9318	0.063*
C10_8	0.3513 (4)	0.5828 (4)	0.93440 (7)	0.0549 (3)
H101_8	0.4070	0.5831	0.9281	0.066*
H102_8	0.3143	0.6375	0.9301	0.066*
N1_11	0.0803 (3)	0.7406 (4)	0.03596 (7)	0.0488 (2)
O8_11	0.0533 (4)	0.6717 (4)	0.04364 (8)	0.1043 (4)
O9_11	0.1523 (3)	0.7776 (4)	0.04326 (7)	0.0843 (3)
O10_11	0.0419 (3)	0.7689 (4)	0.02042 (6)	0.0830 (3)
N2_12	0.1007 (3)	0.7332 (3)	0.16416 (7)	0.0471 (2)
O8_12	0.0873 (3)	0.6620 (3)	0.17339 (6)	0.0823 (3)
O9_12	0.1753 (3)	0.7749 (4)	0.16802 (6)	0.0813 (3)
O10_12	0.0455 (3)	0.7631 (4)	0.15089 (7)	0.0884 (3)
N3_13	0.0844 (3)	0.7386 (3)	0.28779 (7)	0.0488 (2)
O8_13	0.0674 (4)	0.6679 (4)	0.29655 (7)	0.1043 (4)
O9_13	0.1525 (3)	0.7844 (4)	0.29421 (6)	0.0843 (3)
O10_13	0.0425 (3)	0.7610 (4)	0.27212 (6)	0.0830 (3)
N4_14	0.0842 (3)	0.7395 (3)	0.41177 (7)	0.0488 (2)
O8_14	0.0598 (4)	0.6690 (4)	0.41969 (8)	0.1043 (4)
O9_14	0.1590 (3)	0.7729 (4)	0.41855 (7)	0.0843 (3)
O10_14	0.0443 (3)	0.7733 (4)	0.39705 (6)	0.0830 (3)
N5_15	0.0984 (3)	0.7346 (3)	0.53996 (7)	0.0471 (2)
O8_15	0.0897 (3)	0.6619 (3)	0.54907 (6)	0.0823 (3)
O9_15	0.1685 (3)	0.7824 (4)	0.54412 (6)	0.0813 (3)
O10_15	0.0430 (3)	0.7599 (4)	0.52640 (6)	0.0884 (3)
N6_16	0.0810 (3)	0.7403 (3)	0.66161 (7)	0.0488 (2)
O8_16	0.0598 (4)	0.6708 (4)	0.67007 (7)	0.1043 (4)
O9_16	0.1488 (3)	0.7833 (4)	0.66888 (6)	0.0843 (3)
O10_16	0.0419 (3)	0.7638 (4)	0.64584 (6)	0.0830 (3)
N7_17	0.0949 (3)	0.7347 (3)	0.78810 (6)	0.0471 (2)
O8_17	0.0786 (3)	0.6633 (3)	0.79708 (6)	0.0823 (3)
O9_17	0.1706 (3)	0.7732 (4)	0.79299 (7)	0.0813 (3)
O10_17	0.0448 (3)	0.7661 (4)	0.77465 (6)	0.0884 (3)
N8_18	0.0914 (3)	0.7367 (3)	0.91403 (7)	0.0471 (2)
O8_18	0.0842 (3)	0.6649 (3)	0.92365 (6)	0.0823 (3)
O9_18	0.1596 (3)	0.7865 (4)	0.91863 (6)	0.0813 (3)
O10_18	0.0402 (3)	0.7564 (4)	0.89925 (7)	0.0884 (3)
N9_19	0.4020 (3)	0.3774 (3)	0.14789 (7)	0.0471 (2)
O8_19	0.4096 (3)	0.4503 (3)	0.13874 (6)	0.0823 (3)
O9_19	0.3308 (3)	0.3296 (4)	0.14378 (6)	0.0813 (3)
O10_19	0.4576 (3)	0.3522 (4)	0.16105 (7)	0.0884 (3)
N10_20	0.4183 (3)	0.3690 (4)	0.27681 (7)	0.0488 (2)
O8_20	0.4459 (4)	0.4377 (4)	0.26880 (8)	0.1043 (4)
O9_20	0.3471 (3)	0.3296 (4)	0.26954 (7)	0.0843 (3)
O10_20	0.4590 (3)	0.3377 (4)	0.29171 (6)	0.0830 (3)
N11_21	0.4103 (3)	0.3732 (3)	0.39929 (6)	0.0471 (2)
O8_21	0.4196 (3)	0.4428 (3)	0.38943 (6)	0.0823 (3)
O9_21	0.3470 (3)	0.3172 (3)	0.39461 (6)	0.0813 (3)
O10_21	0.4618 (3)	0.3578 (4)	0.41378 (6)	0.0884 (3)
N12_22	0.4024 (3)	0.3774 (3)	0.52392 (6)	0.0471 (2)
O8_22	0.4169 (3)	0.4504 (3)	0.51524 (6)	0.0823 (3)
O9_22	0.3269 (3)	0.3362 (4)	0.51963 (7)	0.0813 (3)
O10_22	0.4563 (3)	0.3463 (4)	0.53712 (7)	0.0884 (3)
N13_23	0.4223 (3)	0.3693 (3)	0.65177 (7)	0.0488 (2)
O8_23	0.4467 (4)	0.4378 (4)	0.64318 (7)	0.1043 (4)
O9_23	0.3534 (3)	0.3249 (4)	0.64490 (6)	0.0843 (3)
O10_23	0.4616 (3)	0.3418 (4)	0.66708 (6)	0.0830 (3)
N14_24	0.4042 (3)	0.3751 (3)	0.77319 (7)	0.0471 (2)
O8_24	0.4107 (3)	0.4474 (3)	0.76371 (6)	0.0823 (3)
O9_24	0.3381 (3)	0.3222 (4)	0.76909 (7)	0.0813 (3)
O10_24	0.4609 (3)	0.3565 (4)	0.78680 (6)	0.0884 (3)
N15_25	0.4106 (3)	0.3723 (4)	0.90040 (6)	0.0488 (2)
O8_25	0.4380 (4)	0.4429 (4)	0.89306 (7)	0.1043 (4)
O9_25	0.3354 (3)	0.3373 (4)	0.89407 (7)	0.0843 (3)
O10_25	0.4559 (3)	0.3371 (4)	0.91444 (6)	0.0830 (3)
N16_26	0.4185 (3)	0.3713 (4)	1.02549 (7)	0.0488 (2)
O8_26	0.4357 (4)	0.4397 (4)	1.01606 (7)	0.1043 (4)
O9_26	0.3564 (3)	0.3168 (4)	1.01944 (6)	0.0843 (3)
O10_26	0.4635 (3)	0.3519 (4)	1.04085 (6)	0.0830 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O6_1	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_1	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg1_1	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_1	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_1	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_1	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_1	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_1	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_1	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_1	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_1	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_1	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_1	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_1	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_1	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_1	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_1	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_1	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
O6_2	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_2	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg2_2	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_2	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_2	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_2	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_2	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_2	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_2	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_2	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_2	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_2	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_2	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_2	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_2	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_2	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_2	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_2	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
O6_3	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_3	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg3_3	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_3	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_3	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_3	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_3	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_3	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_3	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_3	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_3	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_3	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_3	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_3	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_3	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_3	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_3	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_3	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
Mg9_9	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_9	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_9	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_9	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_9	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_9	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_9	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_9	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_9	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_9	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_9	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_9	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_9	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_9	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_9	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_9	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
O6_4	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_4	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg4_4	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_4	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_4	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_4	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_4	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_4	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_4	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_4	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_4	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_4	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_4	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_4	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_4	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_4	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_4	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_4	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
O6_5	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_5	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg5_5	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_5	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_5	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_5	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_5	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_5	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_5	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_5	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_5	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_5	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_5	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_5	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_5	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_5	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_5	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_5	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
O6_6	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_6	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg6_6	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_6	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_6	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_6	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_6	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_6	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_6	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_6	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_6	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_6	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_6	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_6	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_6	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_6	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_6	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_6	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
O6_7	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_7	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg7_7	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_7	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_7	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_7	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_7	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_7	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_7	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_7	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_7	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_7	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_7	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_7	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_7	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_7	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_7	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_7	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
Mg10_10	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_10	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_10	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_10	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_10	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_10	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_10	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_10	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_10	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_10	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_10	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_10	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_10	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_10	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_10	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_10	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
O6_8	0.0707 (5)	0.0492 (4)	0.0457 (4)	0.0196 (3)	0.0034 (3)	−0.0007 (3)
O7_8	0.0641 (5)	0.0490 (4)	0.0507 (4)	0.0184 (3)	0.0002 (3)	−0.0012 (3)
Mg8_8	0.0355 (2)	0.03682 (17)	0.03752 (17)	0.00179 (11)	0.00617 (13)	−0.00205 (11)
O1_8	0.0443 (4)	0.0514 (4)	0.0463 (4)	−0.0048 (3)	0.0097 (3)	−0.0010 (3)
O2_8	0.0481 (4)	0.0534 (4)	0.0474 (4)	−0.0033 (3)	0.0047 (3)	−0.0072 (3)
O3_8	0.0524 (5)	0.0533 (4)	0.0493 (4)	0.0002 (3)	0.0148 (3)	−0.0081 (3)
O4_8	0.0518 (5)	0.0609 (4)	0.0567 (4)	−0.0128 (3)	0.0154 (3)	−0.0060 (3)
O5_8	0.0491 (4)	0.0547 (4)	0.0441 (3)	−0.0074 (3)	0.0096 (3)	−0.0112 (3)
C1_8	0.0549 (7)	0.0622 (7)	0.0789 (8)	−0.0195 (5)	0.0210 (6)	−0.0083 (5)
C2_8	0.0478 (7)	0.0717 (7)	0.0774 (8)	−0.0165 (6)	0.0045 (6)	−0.0197 (6)
C3_8	0.0702 (8)	0.0553 (6)	0.0468 (6)	−0.0023 (5)	−0.0010 (5)	−0.0141 (4)
C4_8	0.0765 (8)	0.0530 (6)	0.0431 (5)	0.0093 (5)	0.0125 (5)	−0.0084 (4)
C5_8	0.0612 (8)	0.0883 (9)	0.0637 (7)	−0.0067 (7)	0.0291 (6)	−0.0083 (6)
C6_8	0.0643 (8)	0.0865 (9)	0.0701 (8)	−0.0249 (7)	0.0277 (6)	−0.0031 (6)
C7_8	0.0698 (8)	0.0575 (6)	0.0704 (7)	−0.0239 (6)	0.0110 (6)	−0.0112 (5)
C8_8	0.0661 (8)	0.0643 (6)	0.0596 (7)	−0.0186 (6)	−0.0011 (6)	−0.0173 (5)
C9_8	0.0601 (7)	0.0622 (6)	0.0372 (5)	0.0067 (5)	0.0115 (5)	−0.0046 (4)
C10_8	0.0559 (7)	0.0670 (6)	0.0439 (5)	−0.0018 (5)	0.0144 (5)	0.0055 (5)
N1_11	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_11	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_11	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_11	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)
N2_12	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_12	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_12	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_12	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N3_13	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_13	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_13	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_13	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)
N4_14	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_14	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_14	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_14	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)
N5_15	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_15	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_15	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_15	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N6_16	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_16	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_16	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_16	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)
N7_17	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_17	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_17	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_17	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N8_18	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_18	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_18	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_18	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N9_19	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_19	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_19	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_19	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N10_20	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_20	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_20	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_20	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)
N11_21	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_21	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_21	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_21	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N12_22	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_22	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_22	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_22	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N13_23	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_23	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_23	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_23	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)
N14_24	0.0558 (5)	0.0414 (4)	0.0450 (4)	0.0026 (4)	0.0099 (4)	−0.0028 (3)
O8_24	0.1026 (8)	0.0651 (5)	0.0790 (6)	−0.0249 (5)	0.0100 (5)	0.0167 (4)
O9_24	0.0949 (7)	0.0740 (6)	0.0711 (5)	−0.0295 (5)	−0.0061 (5)	0.0055 (4)
O10_24	0.0806 (7)	0.0947 (7)	0.0839 (6)	0.0230 (5)	−0.0149 (5)	0.0079 (5)
N15_25	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_25	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_25	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_25	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)
N16_26	0.0584 (6)	0.0393 (4)	0.0501 (5)	0.0020 (4)	0.0126 (4)	−0.0026 (3)
O8_26	0.1374 (10)	0.0680 (6)	0.1145 (8)	−0.0214 (6)	0.0433 (7)	0.0235 (5)
O9_26	0.0886 (7)	0.0931 (7)	0.0671 (5)	−0.0229 (5)	−0.0065 (5)	−0.0106 (5)
O10_26	0.0803 (7)	0.0888 (6)	0.0746 (5)	0.0154 (5)	−0.0122 (5)	0.0086 (5)

Geometric parameters (Å, º)

O6_1—Mg1_1	2.023 (4)	C2_5—H22_5	0.9700
O6_1—H1W_1	0.814 (9)	C3_5—C4_5	1.487 (6)
O6_1—H2W_1	0.808 (9)	C3_5—H31_5	0.9700
O7_1—Mg1_1	1.975 (4)	C3_5—H32_5	0.9700
O7_1—H3W_1	0.813 (9)	C4_5—H41_5	0.9700
O7_1—H4W_1	0.810 (9)	C4_5—H42_5	0.9700
Mg1_1—O5_1	2.113 (3)	C5_5—C6_5	1.497 (7)
Mg1_1—O2_1	2.180 (4)	C5_5—H51_5	0.9700
Mg1_1—O3_1	2.193 (4)	C5_5—H52_5	0.9700
Mg1_1—O4_1	2.215 (4)	C6_5—H61_5	0.9700
Mg1_1—O1_1	2.224 (4)	C6_5—H62_5	0.9700
O1_1—C1_1	1.426 (6)	C7_5—C8_5	1.472 (6)
O1_1—C10_1	1.430 (5)	C7_5—H71_5	0.9700
O2_1—C2_1	1.422 (5)	C7_5—H72_5	0.9700
O2_1—C3_1	1.431 (5)	C8_5—H81_5	0.9700
O3_1—C5_1	1.426 (5)	C8_5—H82_5	0.9700
O3_1—C4_1	1.444 (6)	C9_5—C10_5	1.498 (6)
O4_1—C7_1	1.420 (6)	C9_5—H91_5	0.9700
O4_1—C6_1	1.439 (5)	C9_5—H92_5	0.9700
O5_1—C8_1	1.423 (5)	C10_5—H101_5	0.9700
O5_1—C9_1	1.438 (5)	C10_5—H102_5	0.9700
C1_1—C2_1	1.496 (6)	O6_6—Mg6_6	2.018 (4)
C1_1—H11_1	0.9700	O6_6—H1W_6	0.816 (9)
C1_1—H12_1	0.9700	O6_6—H2W_6	0.816 (9)
C2_1—H21_1	0.9700	O7_6—Mg6_6	1.993 (4)
C2_1—H22_1	0.9700	O7_6—H3W_6	0.819 (9)
C3_1—C4_1	1.502 (6)	O7_6—H4W_6	0.819 (10)
C3_1—H31_1	0.9700	Mg6_6—O5_6	2.109 (4)
C3_1—H32_1	0.9700	Mg6_6—O2_6	2.179 (4)
C4_1—H41_1	0.9700	Mg6_6—O3_6	2.199 (4)
C4_1—H42_1	0.9700	Mg6_6—O1_6	2.216 (4)
C5_1—C6_1	1.498 (7)	Mg6_6—O4_6	2.230 (4)
C5_1—H51_1	0.9700	O1_6—C1_6	1.431 (6)
C5_1—H52_1	0.9700	O1_6—C10_6	1.446 (5)
C6_1—H61_1	0.9700	O2_6—C3_6	1.417 (5)
C6_1—H62_1	0.9700	O2_6—C2_6	1.418 (5)
C7_1—C8_1	1.499 (6)	O3_6—C5_6	1.419 (5)
C7_1—H71_1	0.9700	O3_6—C4_6	1.440 (6)
C7_1—H72_1	0.9700	O4_6—C6_6	1.410 (5)
C8_1—H81_1	0.9700	O4_6—C7_6	1.429 (6)
C8_1—H82_1	0.9700	O5_6—C9_6	1.420 (5)
C9_1—C10_1	1.482 (6)	O5_6—C8_6	1.426 (5)
C9_1—H91_1	0.9700	C1_6—C2_6	1.502 (6)
C9_1—H92_1	0.9700	C1_6—H11_6	0.9700
C10_1—H101_1	0.9700	C1_6—H12_6	0.9700
C10_1—H102_1	0.9700	C2_6—H21_6	0.9700
O6_2—Mg2_2	2.002 (4)	C2_6—H22_6	0.9700
O6_2—H1W_2	0.815 (9)	C3_6—C4_6	1.495 (6)
O6_2—H2W_2	0.819 (9)	C3_6—H31_6	0.9700
O7_2—Mg2_2	2.047 (4)	C3_6—H32_6	0.9700
O7_2—H3W_2	0.811 (9)	C4_6—H41_6	0.9700
O7_2—H4W_2	0.807 (9)	C4_6—H42_6	0.9700
Mg2_2—O5_2	2.120 (4)	C5_6—C6_6	1.497 (7)
Mg2_2—O2_2	2.168 (4)	C5_6—H51_6	0.9700
Mg2_2—O3_2	2.194 (4)	C5_6—H52_6	0.9700
Mg2_2—O4_2	2.224 (4)	C6_6—H61_6	0.9700
Mg2_2—O1_2	2.239 (4)	C6_6—H62_6	0.9700
O1_2—C1_2	1.437 (6)	C7_6—C8_6	1.474 (6)
O1_2—C10_2	1.442 (5)	C7_6—H71_6	0.9700
O2_2—C3_2	1.425 (5)	C7_6—H72_6	0.9700
O2_2—C2_2	1.430 (5)	C8_6—H81_6	0.9700
O3_2—C4_2	1.417 (6)	C8_6—H82_6	0.9700
O3_2—C5_2	1.419 (5)	C9_6—C10_6	1.482 (6)
O4_2—C7_2	1.419 (6)	C9_6—H91_6	0.9700
O4_2—C6_2	1.421 (5)	C9_6—H92_6	0.9700
O5_2—C8_2	1.411 (5)	C10_6—H101_6	0.9700
O5_2—C9_2	1.411 (5)	C10_6—H102_6	0.9700
C1_2—C2_2	1.509 (6)	O6_7—Mg7_7	1.965 (5)
C1_2—H11_2	0.9700	O6_7—Mg10_10	2.065 (5)
C1_2—H12_2	0.9700	O6_7—H1W_7	0.823 (9)
C2_2—H21_2	0.9700	O6_7—H2W_7	0.817 (9)
C2_2—H22_2	0.9700	O7_7—Mg10_10	1.965 (5)
C3_2—C4_2	1.492 (6)	O7_7—Mg7_7	2.058 (5)
C3_2—H31_2	0.9700	O7_7—H3W_7	0.818 (10)
C3_2—H32_2	0.9700	O7_7—H4W_7	0.816 (9)
C4_2—H41_2	0.9700	Mg7_7—O5_7	2.120 (4)
C4_2—H42_2	0.9700	Mg7_7—O2_7	2.172 (5)
C5_2—C6_2	1.509 (7)	Mg7_7—O3_7	2.172 (5)
C5_2—H51_2	0.9700	Mg7_7—O4_7	2.227 (5)
C5_2—H52_2	0.9700	Mg7_7—O1_7	2.239 (5)
C6_2—H61_2	0.9700	O1_7—C1_7	1.431 (7)
C6_2—H62_2	0.9700	O1_7—C10_7	1.436 (6)
C7_2—C8_2	1.466 (6)	O2_7—C2_7	1.423 (6)
C7_2—H71_2	0.9700	O2_7—C3_7	1.430 (6)
C7_2—H72_2	0.9700	O3_7—C5_7	1.404 (7)
C8_2—H81_2	0.9700	O3_7—C4_7	1.419 (6)
C8_2—H82_2	0.9700	O4_7—C7_7	1.418 (7)
C9_2—C10_2	1.500 (7)	O4_7—C6_7	1.443 (6)
C9_2—H91_2	0.9700	O5_7—C8_7	1.405 (6)
C9_2—H92_2	0.9700	O5_7—C9_7	1.424 (6)
C10_2—H101_2	0.9700	C1_7—C2_7	1.518 (7)
C10_2—H102_2	0.9700	C1_7—H11_7	0.9700
O6_3—Mg3_3	2.008 (5)	C1_7—H12_7	0.9700
O6_3—Mg9_9	2.120 (5)	C1_7—H6A_10	1.0315
O6_3—H1W_3	0.817 (9)	C1_7—H6B_10	1.2575
O6_3—H2W_3	0.811 (9)	C2_7—H21_7	0.9700
O7_3—Mg9_9	1.917 (5)	C2_7—H22_7	0.9700
O7_3—Mg3_3	2.021 (5)	C2_7—H7B_10	0.9996
O7_3—H3W_3	0.810 (9)	C3_7—C4_7	1.502 (7)
O7_3—H4W_3	0.812 (9)	C3_7—H31_7	0.9700
Mg3_3—O5_3	2.128 (4)	C3_7—H32_7	0.9700
Mg3_3—O2_3	2.174 (5)	C3_7—H8A_10	0.8974
Mg3_3—O3_3	2.195 (4)	C3_7—H8B_10	1.1388
Mg3_3—O1_3	2.217 (5)	C4_7—H41_7	0.9700
Mg3_3—O4_3	2.231 (5)	C4_7—H42_7	0.9700
O1_3—C1_3	1.425 (7)	C4_7—H9A_10	1.0649
O1_3—C10_3	1.434 (6)	C4_7—H9B_10	0.9303
O2_3—C2_3	1.411 (6)	C5_7—C6_7	1.508 (8)
O2_3—C3_3	1.441 (6)	C5_7—H51_7	0.9700
O3_3—C5_3	1.415 (6)	C5_7—H52_7	0.9700
O3_3—C4_3	1.438 (6)	C5_7—H10B_10	0.9350
O4_3—C7_3	1.422 (6)	C6_7—H61_7	0.9700
O4_3—C6_3	1.436 (6)	C6_7—H62_7	0.9700
O5_3—C9_3	1.403 (6)	C6_7—H1A_10	1.0441
O5_3—C8_3	1.408 (6)	C6_7—H1B_10	1.1682
C1_3—C2_3	1.530 (7)	C7_7—C8_7	1.492 (7)
C1_3—H11_3	0.9700	C7_7—H71_7	0.9700
C1_3—H12_3	0.9700	C7_7—H72_7	0.9700
C1_3—H6A_9	1.1827	C7_7—H2A_10	1.0839
C1_3—H6B_9	1.1137	C8_7—H81_7	0.9700
C2_3—H21_3	0.9700	C8_7—H82_7	0.9700
C2_3—H22_3	0.9700	C8_7—H3A_10	1.3945
C2_3—H7A_9	0.9417	C8_7—H3B_10	0.9888
C3_3—C4_3	1.491 (7)	C9_7—C10_7	1.497 (7)
C3_3—H31_3	0.9700	C9_7—H91_7	0.9700
C3_3—H32_3	0.9700	C9_7—H92_7	0.9700
C3_3—H8A_9	1.0446	C9_7—H4A_10	1.1882
C3_3—H8B_9	0.9916	C9_7—H4B_10	1.1184
C4_3—H41_3	0.9700	C10_7—H101_7	0.9700
C4_3—H42_3	0.9700	C10_7—H102_7	0.9700
C4_3—H9A_9	0.8540	C10_7—H5A_10	1.0622
C4_3—H9B_9	1.1005	Mg10_10—O5_10	2.1207
C5_3—C6_3	1.494 (8)	Mg10_10—O2_10	2.1692
C5_3—H51_3	0.9700	Mg10_10—O3_10	2.1869
C5_3—H52_3	0.9700	Mg10_10—O4_10	2.2218
C5_3—H10A_9	0.9626	Mg10_10—O1_10	2.2356
C6_3—H61_3	0.9700	Mg10_10—H4W_7	2.38 (4)
C6_3—H62_3	0.9700	O1_10—C10_10	1.4183
C6_3—H1A_9	1.2628	O1_10—C1_10	1.4592
C6_3—H1B_9	0.9772	O2_10—C2_10	1.4093
C7_3—C8_3	1.494 (7)	O2_10—C3_10	1.4145
C7_3—H71_3	0.9700	O3_10—C4_10	1.4422
C7_3—H72_3	0.9700	O3_10—C5_10	1.4518
C7_3—H2B_9	1.0661	O4_10—C7_10	1.4118
C8_3—H81_3	0.9700	O4_10—C6_10	1.4297
C8_3—H82_3	0.9700	O5_10—C9_10	1.4098
C8_3—H3A_9	1.0345	O5_10—C8_10	1.4118
C8_3—H3B_9	1.4769	C1_10—C2_10	1.5235
C9_3—C10_3	1.501 (7)	C1_10—H1A_10	0.9701
C9_3—H91_3	0.9700	C1_10—H1B_10	0.9701
C9_3—H92_3	0.9700	C2_10—H2A_10	0.9699
C9_3—H4A_9	1.1218	C2_10—H2B_10	0.9700
C9_3—H4B_9	1.1792	C3_10—C4_10	1.5055
C10_3—H101_3	0.9700	C3_10—H3A_10	0.9700
C10_3—H102_3	0.9700	C3_10—H3B_10	0.9699
C10_3—H5B_9	1.0910	C4_10—H4A_10	0.9700
Mg9_9—O5_9	2.1034	C4_10—H4B_10	0.9703
Mg9_9—O2_9	2.1737	C5_10—C6_10	1.4812
Mg9_9—O3_9	2.2045	C5_10—H5A_10	0.9702
Mg9_9—O1_9	2.2211	C5_10—H5B_10	0.9699
Mg9_9—O4_9	2.2226	C6_10—H6A_10	0.9701
O1_9—C1_9	1.4190	C6_10—H6B_10	0.9701
O1_9—C10_9	1.4468	C7_10—C8_10	1.5271
O2_9—C3_9	1.4344	C7_10—H7A_10	0.9699
O2_9—C2_9	1.4508	C7_10—H7B_10	0.9700
O3_9—C5_9	1.3920	C8_10—H8A_10	0.9700
O3_9—C4_9	1.4268	C8_10—H8B_10	0.9700
O4_9—C6_9	1.4122	C9_10—C10_10	1.4899
O4_9—C7_9	1.4349	C9_10—H9A_10	0.9700
O5_9—C9_9	1.4254	C9_10—H9B_10	0.9699
O5_9—C8_9	1.4281	C10_10—H10A_10	0.9700
C1_9—C2_9	1.4656	C10_10—H10B_10	0.9699
C1_9—H1A_9	0.9699	O6_8—Mg8_8	2.006 (4)
C1_9—H1B_9	0.9700	O6_8—H1W_8	0.822 (9)
C2_9—H2A_9	0.9700	O6_8—H2W_8	0.817 (9)
C2_9—H2B_9	0.9699	O7_8—Mg8_8	2.036 (4)
C3_9—C4_9	1.4876	O7_8—H3W_8	0.818 (10)
C3_9—H3A_9	0.9700	O7_8—H4W_8	0.811 (9)
C3_9—H3B_9	0.9700	Mg8_8—O5_8	2.119 (4)
C4_9—H4A_9	0.9699	Mg8_8—O2_8	2.170 (4)
C4_9—H4B_9	0.9700	Mg8_8—O3_8	2.192 (4)
C5_9—C6_9	1.5249	Mg8_8—O4_8	2.199 (4)
C5_9—H5A_9	0.9699	Mg8_8—O1_8	2.233 (4)
C5_9—H5B_9	0.9700	O1_8—C10_8	1.434 (5)
C6_9—H6A_9	0.9700	O1_8—C1_8	1.442 (6)
C6_9—H6B_9	0.9701	O2_8—C2_8	1.426 (5)
C7_9—C8_9	1.4423	O2_8—C3_8	1.435 (5)
C7_9—H7A_9	0.9701	O3_8—C4_8	1.421 (6)
C7_9—H7B_9	0.9700	O3_8—C5_8	1.436 (5)
C8_9—H8A_9	0.9700	O4_8—C7_8	1.416 (6)
C8_9—H8B_9	0.9699	O4_8—C6_8	1.432 (5)
C9_9—C10_9	1.4980	O5_8—C9_8	1.423 (5)
C9_9—H9A_9	0.9698	O5_8—C8_8	1.423 (5)
C9_9—H9B_9	0.9700	C1_8—C2_8	1.497 (6)
C10_9—H10A_9	0.9700	C1_8—H11_8	0.9700
C10_9—H10B_9	0.9700	C1_8—H12_8	0.9700
O6_4—Mg4_4	2.037 (4)	C2_8—H21_8	0.9700
O6_4—H1W_4	0.818 (9)	C2_8—H22_8	0.9700
O6_4—H2W_4	0.820 (9)	C3_8—C4_8	1.485 (6)
O7_4—Mg4_4	1.983 (4)	C3_8—H31_8	0.9700
O7_4—H3W_4	0.815 (9)	C3_8—H32_8	0.9700
O7_4—H4W_4	0.809 (9)	C4_8—H41_8	0.9700
Mg4_4—O5_4	2.097 (4)	C4_8—H42_8	0.9700
Mg4_4—O2_4	2.184 (4)	C5_8—C6_8	1.503 (7)
Mg4_4—O3_4	2.189 (4)	C5_8—H51_8	0.9700
Mg4_4—O1_4	2.214 (4)	C5_8—H52_8	0.9700
Mg4_4—O4_4	2.224 (4)	C6_8—H61_8	0.9700
O1_4—C10_4	1.425 (5)	C6_8—H62_8	0.9700
O1_4—C1_4	1.427 (6)	C7_8—C8_8	1.492 (6)
O2_4—C2_4	1.414 (5)	C7_8—H71_8	0.9700
O2_4—C3_4	1.429 (5)	C7_8—H72_8	0.9700
O3_4—C5_4	1.422 (5)	C8_8—H81_8	0.9700
O3_4—C4_4	1.435 (6)	C8_8—H82_8	0.9700
O4_4—C6_4	1.423 (5)	C9_8—C10_8	1.505 (6)
O4_4—C7_4	1.430 (6)	C9_8—H91_8	0.9700
O5_4—C9_4	1.429 (5)	C9_8—H92_8	0.9700
O5_4—C8_4	1.433 (5)	C10_8—H101_8	0.9700
C1_4—C2_4	1.498 (6)	C10_8—H102_8	0.9700
C1_4—H11_4	0.9700	N1_11—O8_11	1.203 (6)
C1_4—H12_4	0.9700	N1_11—O9_11	1.229 (5)
C2_4—H21_4	0.9700	N1_11—O10_11	1.231 (5)
C2_4—H22_4	0.9700	N2_12—O8_12	1.224 (5)
C3_4—C4_4	1.500 (6)	N2_12—O10_12	1.231 (5)
C3_4—H31_4	0.9700	N2_12—O9_12	1.239 (5)
C3_4—H32_4	0.9700	N3_13—O8_13	1.215 (6)
C4_4—H41_4	0.9700	N3_13—O9_13	1.226 (5)
C4_4—H42_4	0.9700	N3_13—O10_13	1.234 (5)
C5_4—C6_4	1.492 (7)	N4_14—O8_14	1.215 (5)
C5_4—H51_4	0.9700	N4_14—O10_14	1.220 (5)
C5_4—H52_4	0.9700	N4_14—O9_14	1.232 (5)
C6_4—H61_4	0.9700	N5_15—O10_15	1.225 (5)
C6_4—H62_4	0.9700	N5_15—O8_15	1.226 (5)
C7_4—C8_4	1.499 (6)	N5_15—O9_15	1.232 (5)
C7_4—H71_4	0.9700	N6_16—O8_16	1.208 (6)
C7_4—H72_4	0.9700	N6_16—O9_16	1.220 (5)
C8_4—H81_4	0.9700	N6_16—O10_16	1.228 (5)
C8_4—H82_4	0.9700	N7_17—O10_17	1.207 (5)
C9_4—C10_4	1.494 (6)	N7_17—O8_17	1.228 (5)
C9_4—H91_4	0.9700	N7_17—O9_17	1.243 (5)
C9_4—H92_4	0.9700	N8_18—O9_18	1.231 (5)
C10_4—H101_4	0.9700	N8_18—O8_18	1.231 (5)
C10_4—H102_4	0.9700	N8_18—O10_18	1.235 (5)
O6_5—Mg5_5	2.016 (4)	N9_19—O10_19	1.207 (5)
O6_5—H1W_5	0.813 (9)	N9_19—O8_19	1.226 (5)
O6_5—H2W_5	0.817 (9)	N9_19—O9_19	1.244 (5)
O7_5—Mg5_5	2.044 (4)	N10_20—O8_20	1.214 (6)
O7_5—H3W_5	0.816 (9)	N10_20—O10_20	1.222 (5)
O7_5—H4W_5	0.814 (9)	N10_20—O9_20	1.234 (5)
Mg5_5—O5_5	2.124 (4)	N11_21—O10_21	1.209 (5)
Mg5_5—O2_5	2.166 (4)	N11_21—O8_21	1.221 (5)
Mg5_5—O3_5	2.193 (4)	N11_21—O9_21	1.231 (5)
Mg5_5—O4_5	2.212 (4)	N12_22—O10_22	1.223 (5)
Mg5_5—O1_5	2.239 (4)	N12_22—O8_22	1.230 (5)
O1_5—C1_5	1.431 (6)	N12_22—O9_22	1.250 (5)
O1_5—C10_5	1.432 (5)	N13_23—O8_23	1.217 (6)
O2_5—C2_5	1.441 (5)	N13_23—O10_23	1.219 (5)
O2_5—C3_5	1.444 (5)	N13_23—O9_23	1.234 (5)
O3_5—C4_5	1.420 (6)	N14_24—O10_24	1.214 (5)
O3_5—C5_5	1.429 (5)	N14_24—O9_24	1.228 (5)
O4_5—C7_5	1.414 (6)	N14_24—O8_24	1.229 (6)
O4_5—C6_5	1.432 (5)	N15_25—O8_25	1.212 (6)
O5_5—C8_5	1.414 (5)	N15_25—O10_25	1.225 (5)
O5_5—C9_5	1.419 (5)	N15_25—O9_25	1.236 (5)
C1_5—C2_5	1.506 (6)	N16_26—O8_26	1.215 (6)
C1_5—H11_5	0.9700	N16_26—O10_26	1.224 (5)
C1_5—H12_5	0.9700	N16_26—O9_26	1.226 (5)
C2_5—H21_5	0.9700
Mg1_1—O6_1—H1W_1	114 (4)	C1_5—O1_5—Mg5_5	111.8 (3)
Mg1_1—O6_1—H2W_1	136 (4)	C10_5—O1_5—Mg5_5	111.9 (3)
H1W_1—O6_1—H2W_1	109 (2)	C2_5—O2_5—C3_5	115.2 (4)
Mg1_1—O7_1—H3W_1	126 (4)	C2_5—O2_5—Mg5_5	117.8 (3)
Mg1_1—O7_1—H4W_1	119 (4)	C3_5—O2_5—Mg5_5	115.3 (3)
H3W_1—O7_1—H4W_1	110 (2)	C4_5—O3_5—C5_5	115.0 (4)
O7_1—Mg1_1—O6_1	178.0 (2)	C4_5—O3_5—Mg5_5	116.2 (3)
O7_1—Mg1_1—O5_1	89.24 (17)	C5_5—O3_5—Mg5_5	112.8 (3)
O6_1—Mg1_1—O5_1	89.29 (18)	C7_5—O4_5—C6_5	115.3 (4)
O7_1—Mg1_1—O2_1	85.62 (18)	C7_5—O4_5—Mg5_5	113.4 (3)
O6_1—Mg1_1—O2_1	96.37 (18)	C6_5—O4_5—Mg5_5	114.2 (3)
O5_1—Mg1_1—O2_1	144.12 (16)	C8_5—O5_5—C9_5	116.7 (4)
O7_1—Mg1_1—O3_1	94.12 (18)	C8_5—O5_5—Mg5_5	122.2 (3)
O6_1—Mg1_1—O3_1	86.25 (17)	C9_5—O5_5—Mg5_5	121.0 (3)
O5_1—Mg1_1—O3_1	143.35 (16)	O1_5—C1_5—C2_5	107.2 (5)
O2_1—Mg1_1—O3_1	72.51 (15)	O1_5—C1_5—H11_5	110.3
O7_1—Mg1_1—O4_1	86.95 (19)	C2_5—C1_5—H11_5	110.3
O6_1—Mg1_1—O4_1	91.3 (2)	O1_5—C1_5—H12_5	110.3
O5_1—Mg1_1—O4_1	71.09 (14)	C2_5—C1_5—H12_5	110.3
O2_1—Mg1_1—O4_1	143.69 (16)	H11_5—C1_5—H12_5	108.5
O3_1—Mg1_1—O4_1	72.66 (14)	O2_5—C2_5—C1_5	103.2 (4)
O7_1—Mg1_1—O1_1	90.69 (18)	O2_5—C2_5—H21_5	111.1
O6_1—Mg1_1—O1_1	90.15 (18)	C1_5—C2_5—H21_5	111.1
O5_1—Mg1_1—O1_1	71.84 (14)	O2_5—C2_5—H22_5	111.1
O2_1—Mg1_1—O1_1	72.74 (14)	C1_5—C2_5—H22_5	111.1
O3_1—Mg1_1—O1_1	144.41 (16)	H21_5—C2_5—H22_5	109.1
O4_1—Mg1_1—O1_1	142.88 (15)	O2_5—C3_5—C4_5	106.9 (4)
C1_1—O1_1—C10_1	114.7 (4)	O2_5—C3_5—H31_5	110.3
C1_1—O1_1—Mg1_1	114.3 (3)	C4_5—C3_5—H31_5	110.3
C10_1—O1_1—Mg1_1	112.9 (3)	O2_5—C3_5—H32_5	110.3
C2_1—O2_1—C3_1	114.8 (4)	C4_5—C3_5—H32_5	110.3
C2_1—O2_1—Mg1_1	116.2 (3)	H31_5—C3_5—H32_5	108.6
C3_1—O2_1—Mg1_1	116.3 (3)	O3_5—C4_5—C3_5	105.4 (4)
C5_1—O3_1—C4_1	113.8 (4)	O3_5—C4_5—H41_5	110.7
C5_1—O3_1—Mg1_1	115.3 (3)	C3_5—C4_5—H41_5	110.7
C4_1—O3_1—Mg1_1	114.6 (3)	O3_5—C4_5—H42_5	110.7
C7_1—O4_1—C6_1	114.0 (4)	C3_5—C4_5—H42_5	110.7
C7_1—O4_1—Mg1_1	113.5 (3)	H41_5—C4_5—H42_5	108.8
C6_1—O4_1—Mg1_1	114.6 (3)	O3_5—C5_5—C6_5	106.8 (5)
C8_1—O5_1—C9_1	116.4 (4)	O3_5—C5_5—H51_5	110.4
C8_1—O5_1—Mg1_1	122.5 (3)	C6_5—C5_5—H51_5	110.4
C9_1—O5_1—Mg1_1	120.9 (3)	O3_5—C5_5—H52_5	110.4
O1_1—C1_1—C2_1	106.8 (5)	C6_5—C5_5—H52_5	110.4
O1_1—C1_1—H11_1	110.4	H51_5—C5_5—H52_5	108.6
C2_1—C1_1—H11_1	110.4	O4_5—C6_5—C5_5	105.6 (5)
O1_1—C1_1—H12_1	110.4	O4_5—C6_5—H61_5	110.6
C2_1—C1_1—H12_1	110.4	C5_5—C6_5—H61_5	110.6
H11_1—C1_1—H12_1	108.6	O4_5—C6_5—H62_5	110.6
O2_1—C2_1—C1_1	107.0 (4)	C5_5—C6_5—H62_5	110.6
O2_1—C2_1—H21_1	110.3	H61_5—C6_5—H62_5	108.7
C1_1—C2_1—H21_1	110.3	O4_5—C7_5—C8_5	108.4 (5)
O2_1—C2_1—H22_1	110.3	O4_5—C7_5—H71_5	110.0
C1_1—C2_1—H22_1	110.3	C8_5—C7_5—H71_5	110.0
H21_1—C2_1—H22_1	108.6	O4_5—C7_5—H72_5	110.0
O2_1—C3_1—C4_1	104.1 (4)	C8_5—C7_5—H72_5	110.0
O2_1—C3_1—H31_1	110.9	H71_5—C7_5—H72_5	108.4
C4_1—C3_1—H31_1	110.9	O5_5—C8_5—C7_5	107.3 (4)
O2_1—C3_1—H32_1	110.9	O5_5—C8_5—H81_5	110.3
C4_1—C3_1—H32_1	110.9	C7_5—C8_5—H81_5	110.3
H31_1—C3_1—H32_1	109.0	O5_5—C8_5—H82_5	110.3
O3_1—C4_1—C3_1	106.3 (4)	C7_5—C8_5—H82_5	110.3
O3_1—C4_1—H41_1	110.5	H81_5—C8_5—H82_5	108.5
C3_1—C4_1—H41_1	110.5	O5_5—C9_5—C10_5	106.4 (4)
O3_1—C4_1—H42_1	110.5	O5_5—C9_5—H91_5	110.5
C3_1—C4_1—H42_1	110.5	C10_5—C9_5—H91_5	110.5
H41_1—C4_1—H42_1	108.7	O5_5—C9_5—H92_5	110.5
O3_1—C5_1—C6_1	105.4 (5)	C10_5—C9_5—H92_5	110.5
O3_1—C5_1—H51_1	110.7	H91_5—C9_5—H92_5	108.6
C6_1—C5_1—H51_1	110.7	O1_5—C10_5—C9_5	104.4 (4)
O3_1—C5_1—H52_1	110.7	O1_5—C10_5—H101_5	110.9
C6_1—C5_1—H52_1	110.7	C9_5—C10_5—H101_5	110.9
H51_1—C5_1—H52_1	108.8	O1_5—C10_5—H102_5	110.9
O4_1—C6_1—C5_1	107.0 (5)	C9_5—C10_5—H102_5	110.9
O4_1—C6_1—H61_1	110.3	H101_5—C10_5—H102_5	108.9
C5_1—C6_1—H61_1	110.3	Mg6_6—O6_6—H1W_6	121 (4)
O4_1—C6_1—H62_1	110.3	Mg6_6—O6_6—H2W_6	127 (4)
C5_1—C6_1—H62_1	110.3	H1W_6—O6_6—H2W_6	105 (2)
H61_1—C6_1—H62_1	108.6	Mg6_6—O7_6—H3W_6	120 (4)
O4_1—C7_1—C8_1	106.6 (5)	Mg6_6—O7_6—H4W_6	131 (4)
O4_1—C7_1—H71_1	110.4	H3W_6—O7_6—H4W_6	106 (2)
C8_1—C7_1—H71_1	110.4	O7_6—Mg6_6—O6_6	178.3 (2)
O4_1—C7_1—H72_1	110.4	O7_6—Mg6_6—O5_6	89.67 (17)
C8_1—C7_1—H72_1	110.4	O6_6—Mg6_6—O5_6	89.14 (18)
H71_1—C7_1—H72_1	108.6	O7_6—Mg6_6—O2_6	84.91 (19)
O5_1—C8_1—C7_1	107.1 (4)	O6_6—Mg6_6—O2_6	96.78 (18)
O5_1—C8_1—H81_1	110.3	O5_6—Mg6_6—O2_6	144.35 (17)
C7_1—C8_1—H81_1	110.3	O7_6—Mg6_6—O3_6	93.86 (19)
O5_1—C8_1—H82_1	110.3	O6_6—Mg6_6—O3_6	86.35 (17)
C7_1—C8_1—H82_1	110.3	O5_6—Mg6_6—O3_6	143.38 (17)
H81_1—C8_1—H82_1	108.6	O2_6—Mg6_6—O3_6	72.24 (14)
O5_1—C9_1—C10_1	106.3 (4)	O7_6—Mg6_6—O1_6	90.71 (19)
O5_1—C9_1—H91_1	110.5	O6_6—Mg6_6—O1_6	90.12 (18)
C10_1—C9_1—H91_1	110.5	O5_6—Mg6_6—O1_6	72.23 (14)
O5_1—C9_1—H92_1	110.5	O2_6—Mg6_6—O1_6	72.64 (15)
C10_1—C9_1—H92_1	110.5	O3_6—Mg6_6—O1_6	143.99 (16)
H91_1—C9_1—H92_1	108.7	O7_6—Mg6_6—O4_6	87.26 (19)
O1_1—C10_1—C9_1	106.5 (4)	O6_6—Mg6_6—O4_6	91.2 (2)
O1_1—C10_1—H101_1	110.4	O5_6—Mg6_6—O4_6	71.42 (15)
C9_1—C10_1—H101_1	110.4	O2_6—Mg6_6—O4_6	143.06 (16)
O1_1—C10_1—H102_1	110.4	O3_6—Mg6_6—O4_6	72.36 (14)
C9_1—C10_1—H102_1	110.4	O1_6—Mg6_6—O4_6	143.60 (15)
H101_1—C10_1—H102_1	108.6	C1_6—O1_6—C10_6	114.4 (4)
Mg2_2—O6_2—H1W_2	126 (4)	C1_6—O1_6—Mg6_6	115.1 (3)
Mg2_2—O6_2—H2W_2	127 (4)	C10_6—O1_6—Mg6_6	112.6 (3)
H1W_2—O6_2—H2W_2	106 (2)	C3_6—O2_6—C2_6	115.4 (4)
Mg2_2—O7_2—H3W_2	131 (4)	C3_6—O2_6—Mg6_6	116.9 (3)
Mg2_2—O7_2—H4W_2	115 (4)	C2_6—O2_6—Mg6_6	115.8 (3)
H3W_2—O7_2—H4W_2	112 (2)	C5_6—O3_6—C4_6	113.6 (4)
O6_2—Mg2_2—O7_2	179.0 (2)	C5_6—O3_6—Mg6_6	115.4 (3)
O6_2—Mg2_2—O5_2	89.37 (18)	C4_6—O3_6—Mg6_6	114.7 (3)
O7_2—Mg2_2—O5_2	90.45 (17)	C6_6—O4_6—C7_6	115.8 (4)
O6_2—Mg2_2—O2_2	94.80 (18)	C6_6—O4_6—Mg6_6	114.2 (3)
O7_2—Mg2_2—O2_2	84.79 (19)	C7_6—O4_6—Mg6_6	112.2 (3)
O5_2—Mg2_2—O2_2	143.31 (17)	C9_6—O5_6—C8_6	116.3 (4)
O6_2—Mg2_2—O3_2	86.04 (18)	C9_6—O5_6—Mg6_6	121.2 (3)
O7_2—Mg2_2—O3_2	94.65 (18)	C8_6—O5_6—Mg6_6	122.2 (3)
O5_2—Mg2_2—O3_2	144.28 (16)	O1_6—C1_6—C2_6	105.0 (5)
O2_2—Mg2_2—O3_2	72.41 (15)	O1_6—C1_6—H11_6	110.7
O6_2—Mg2_2—O4_2	91.1 (2)	C2_6—C1_6—H11_6	110.7
O7_2—Mg2_2—O4_2	89.74 (19)	O1_6—C1_6—H12_6	110.7
O5_2—Mg2_2—O4_2	71.56 (15)	C2_6—C1_6—H12_6	110.7
O2_2—Mg2_2—O4_2	144.50 (16)	H11_6—C1_6—H12_6	108.8
O3_2—Mg2_2—O4_2	73.14 (14)	O2_6—C2_6—C1_6	108.0 (4)
O6_2—Mg2_2—O1_2	88.07 (18)	O2_6—C2_6—H21_6	110.1
O7_2—Mg2_2—O1_2	90.99 (19)	C1_6—C2_6—H21_6	110.1
O5_2—Mg2_2—O1_2	71.27 (14)	O2_6—C2_6—H22_6	110.1
O2_2—Mg2_2—O1_2	72.46 (15)	C1_6—C2_6—H22_6	110.1
O3_2—Mg2_2—O1_2	143.71 (15)	H21_6—C2_6—H22_6	108.4
O4_2—Mg2_2—O1_2	142.83 (16)	O2_6—C3_6—C4_6	105.0 (4)
C1_2—O1_2—C10_2	112.3 (4)	O2_6—C3_6—H31_6	110.7
C1_2—O1_2—Mg2_2	112.4 (3)	C4_6—C3_6—H31_6	110.7
C10_2—O1_2—Mg2_2	111.9 (3)	O2_6—C3_6—H32_6	110.7
C3_2—O2_2—C2_2	115.3 (4)	C4_6—C3_6—H32_6	110.7
C3_2—O2_2—Mg2_2	115.9 (3)	H31_6—C3_6—H32_6	108.8
C2_2—O2_2—Mg2_2	117.3 (3)	O3_6—C4_6—C3_6	106.6 (4)
C4_2—O3_2—C5_2	115.7 (4)	O3_6—C4_6—H41_6	110.4
C4_2—O3_2—Mg2_2	116.3 (3)	C3_6—C4_6—H41_6	110.4
C5_2—O3_2—Mg2_2	113.9 (3)	O3_6—C4_6—H42_6	110.4
C7_2—O4_2—C6_2	115.2 (4)	C3_6—C4_6—H42_6	110.4
C7_2—O4_2—Mg2_2	112.1 (3)	H41_6—C4_6—H42_6	108.6
C6_2—O4_2—Mg2_2	114.1 (3)	O3_6—C5_6—C6_6	105.3 (5)
C8_2—O5_2—C9_2	116.5 (4)	O3_6—C5_6—H51_6	110.7
C8_2—O5_2—Mg2_2	121.7 (3)	C6_6—C5_6—H51_6	110.7
C9_2—O5_2—Mg2_2	121.8 (3)	O3_6—C5_6—H52_6	110.7
O1_2—C1_2—C2_2	105.8 (5)	C6_6—C5_6—H52_6	110.7
O1_2—C1_2—H11_2	110.6	H51_6—C5_6—H52_6	108.8
C2_2—C1_2—H11_2	110.6	O4_6—C6_6—C5_6	108.3 (5)
O1_2—C1_2—H12_2	110.6	O4_6—C6_6—H61_6	110.0
C2_2—C1_2—H12_2	110.6	C5_6—C6_6—H61_6	110.0
H11_2—C1_2—H12_2	108.7	O4_6—C6_6—H62_6	110.0
O2_2—C2_2—C1_2	104.6 (4)	C5_6—C6_6—H62_6	110.0
O2_2—C2_2—H21_2	110.8	H61_6—C6_6—H62_6	108.4
C1_2—C2_2—H21_2	110.8	O4_6—C7_6—C8_6	107.6 (5)
O2_2—C2_2—H22_2	110.8	O4_6—C7_6—H71_6	110.2
C1_2—C2_2—H22_2	110.8	C8_6—C7_6—H71_6	110.2
H21_2—C2_2—H22_2	108.9	O4_6—C7_6—H72_6	110.2
O2_2—C3_2—C4_2	107.3 (4)	C8_6—C7_6—H72_6	110.2
O2_2—C3_2—H31_2	110.3	H71_6—C7_6—H72_6	108.5
C4_2—C3_2—H31_2	110.3	O5_6—C8_6—C7_6	107.4 (4)
O2_2—C3_2—H32_2	110.3	O5_6—C8_6—H81_6	110.2
C4_2—C3_2—H32_2	110.3	C7_6—C8_6—H81_6	110.2
H31_2—C3_2—H32_2	108.5	O5_6—C8_6—H82_6	110.2
O3_2—C4_2—C3_2	105.5 (4)	C7_6—C8_6—H82_6	110.2
O3_2—C4_2—H41_2	110.6	H81_6—C8_6—H82_6	108.5
C3_2—C4_2—H41_2	110.6	O5_6—C9_6—C10_6	106.6 (4)
O3_2—C4_2—H42_2	110.6	O5_6—C9_6—H91_6	110.4
C3_2—C4_2—H42_2	110.6	C10_6—C9_6—H91_6	110.4
H41_2—C4_2—H42_2	108.8	O5_6—C9_6—H92_6	110.4
O3_2—C5_2—C6_2	107.0 (5)	C10_6—C9_6—H92_6	110.4
O3_2—C5_2—H51_2	110.3	H91_6—C9_6—H92_6	108.6
C6_2—C5_2—H51_2	110.3	O1_6—C10_6—C9_6	106.8 (4)
O3_2—C5_2—H52_2	110.3	O1_6—C10_6—H101_6	110.4
C6_2—C5_2—H52_2	110.3	C9_6—C10_6—H101_6	110.4
H51_2—C5_2—H52_2	108.6	O1_6—C10_6—H102_6	110.4
O4_2—C6_2—C5_2	105.6 (5)	C9_6—C10_6—H102_6	110.4
O4_2—C6_2—H61_2	110.6	H101_6—C10_6—H102_6	108.6
C5_2—C6_2—H61_2	110.6	Mg7_7—O6_7—Mg10_10	4.15 (13)
O4_2—C6_2—H62_2	110.6	Mg7_7—O6_7—H1W_7	122 (3)
C5_2—C6_2—H62_2	110.6	Mg10_10—O6_7—H1W_7	118 (3)
H61_2—C6_2—H62_2	108.8	Mg7_7—O6_7—H2W_7	127 (3)
O4_2—C7_2—C8_2	108.5 (5)	Mg10_10—O6_7—H2W_7	131 (3)
O4_2—C7_2—H71_2	110.0	H1W_7—O6_7—H2W_7	107 (2)
C8_2—C7_2—H71_2	110.0	Mg10_10—O7_7—Mg7_7	4.28 (13)
O4_2—C7_2—H72_2	110.0	Mg10_10—O7_7—H3W_7	143 (3)
C8_2—C7_2—H72_2	110.0	Mg7_7—O7_7—H3W_7	138 (3)
H71_2—C7_2—H72_2	108.4	Mg10_10—O7_7—H4W_7	111 (3)
O5_2—C8_2—C7_2	107.2 (4)	Mg7_7—O7_7—H4W_7	115 (3)
O5_2—C8_2—H81_2	110.3	H3W_7—O7_7—H4W_7	106 (2)
C7_2—C8_2—H81_2	110.3	O6_7—Mg7_7—O7_7	178.0 (3)
O5_2—C8_2—H82_2	110.3	O6_7—Mg7_7—O5_7	89.2 (2)
C7_2—C8_2—H82_2	110.3	O7_7—Mg7_7—O5_7	89.10 (19)
H81_2—C8_2—H82_2	108.5	O6_7—Mg7_7—O2_7	95.1 (2)
O5_2—C9_2—C10_2	106.4 (4)	O7_7—Mg7_7—O2_7	85.6 (2)
O5_2—C9_2—H91_2	110.4	O5_7—Mg7_7—O2_7	143.4 (2)
C10_2—C9_2—H91_2	110.4	O6_7—Mg7_7—O3_7	86.7 (2)
O5_2—C9_2—H92_2	110.4	O7_7—Mg7_7—O3_7	95.2 (2)
C10_2—C9_2—H92_2	110.4	O5_7—Mg7_7—O3_7	143.9 (2)
H91_2—C9_2—H92_2	108.6	O2_7—Mg7_7—O3_7	72.72 (18)
O1_2—C10_2—C9_2	105.0 (4)	O6_7—Mg7_7—O4_7	90.9 (2)
O1_2—C10_2—H101_2	110.8	O7_7—Mg7_7—O4_7	89.5 (2)
C9_2—C10_2—H101_2	110.8	O5_7—Mg7_7—O4_7	71.09 (18)
O1_2—C10_2—H102_2	110.7	O2_7—Mg7_7—O4_7	144.9 (2)
C9_2—C10_2—H102_2	110.7	O3_7—Mg7_7—O4_7	73.11 (18)
H101_2—C10_2—H102_2	108.8	O6_7—Mg7_7—O1_7	87.0 (2)
Mg3_3—O6_3—Mg9_9	4.71 (12)	O7_7—Mg7_7—O1_7	91.4 (2)
Mg3_3—O6_3—H1W_3	132 (3)	O5_7—Mg7_7—O1_7	71.29 (18)
Mg9_9—O6_3—H1W_3	127 (3)	O2_7—Mg7_7—O1_7	72.65 (18)
Mg3_3—O6_3—H2W_3	118 (4)	O3_7—Mg7_7—O1_7	144.1 (2)
Mg9_9—O6_3—H2W_3	123 (4)	O4_7—Mg7_7—O1_7	142.4 (2)
H1W_3—O6_3—H2W_3	110 (2)	C1_7—O1_7—C10_7	112.8 (5)
Mg9_9—O7_3—Mg3_3	5.09 (13)	C1_7—O1_7—Mg7_7	112.6 (4)
Mg9_9—O7_3—H3W_3	130 (4)	C10_7—O1_7—Mg7_7	113.1 (4)
Mg3_3—O7_3—H3W_3	125 (4)	C2_7—O2_7—C3_7	114.7 (4)
Mg9_9—O7_3—H4W_3	121 (4)	C2_7—O2_7—Mg7_7	117.2 (4)
Mg3_3—O7_3—H4W_3	126 (4)	C3_7—O2_7—Mg7_7	116.0 (4)
H3W_3—O7_3—H4W_3	106 (2)	C5_7—O3_7—C4_7	115.2 (5)
O6_3—Mg3_3—O7_3	177.8 (3)	C5_7—O3_7—Mg7_7	116.1 (4)
O6_3—Mg3_3—O5_3	89.5 (2)	C4_7—O3_7—Mg7_7	115.7 (4)
O7_3—Mg3_3—O5_3	88.38 (19)	C7_7—O4_7—C6_7	113.8 (5)
O6_3—Mg3_3—O2_3	97.7 (2)	C7_7—O4_7—Mg7_7	112.6 (4)
O7_3—Mg3_3—O2_3	84.2 (2)	C6_7—O4_7—Mg7_7	113.4 (4)
O5_3—Mg3_3—O2_3	143.4 (2)	C8_7—O5_7—C9_7	116.1 (5)
O6_3—Mg3_3—O3_3	87.5 (2)	C8_7—O5_7—Mg7_7	122.6 (4)
O7_3—Mg3_3—O3_3	94.1 (2)	C9_7—O5_7—Mg7_7	120.8 (4)
O5_3—Mg3_3—O3_3	143.9 (2)	O1_7—C1_7—C2_7	106.4 (6)
O2_3—Mg3_3—O3_3	72.49 (18)	O1_7—C1_7—H11_7	110.4
O6_3—Mg3_3—O1_3	89.4 (2)	C2_7—C1_7—H11_7	110.4
O7_3—Mg3_3—O1_3	90.2 (2)	O1_7—C1_7—H12_7	110.4
O5_3—Mg3_3—O1_3	71.57 (18)	C2_7—C1_7—H12_7	110.4
O2_3—Mg3_3—O1_3	72.70 (18)	H11_7—C1_7—H12_7	108.6
O3_3—Mg3_3—O1_3	144.3 (2)	H6A_10—C1_7—H6B_10	86.4
O6_3—Mg3_3—O4_3	91.4 (2)	O2_7—C2_7—C1_7	104.8 (5)
O7_3—Mg3_3—O4_3	87.6 (2)	O2_7—C2_7—H21_7	110.8
O5_3—Mg3_3—O4_3	70.89 (18)	C1_7—C2_7—H21_7	110.8
O2_3—Mg3_3—O4_3	144.0 (2)	O2_7—C2_7—H22_7	110.8
O3_3—Mg3_3—O4_3	73.22 (18)	C1_7—C2_7—H22_7	110.8
O1_3—Mg3_3—O4_3	142.45 (19)	H21_7—C2_7—H22_7	108.9
C1_3—O1_3—C10_3	113.8 (5)	O2_7—C3_7—C4_7	105.6 (5)
C1_3—O1_3—Mg3_3	114.2 (4)	O2_7—C3_7—H31_7	110.6
C10_3—O1_3—Mg3_3	113.6 (4)	C4_7—C3_7—H31_7	110.6
C2_3—O2_3—C3_3	113.8 (4)	O2_7—C3_7—H32_7	110.6
C2_3—O2_3—Mg3_3	116.6 (4)	C4_7—C3_7—H32_7	110.6
C3_3—O2_3—Mg3_3	116.9 (4)	H31_7—C3_7—H32_7	108.8
C5_3—O3_3—C4_3	114.5 (5)	H8A_10—C3_7—H8B_10	100.7
C5_3—O3_3—Mg3_3	114.5 (4)	O3_7—C4_7—C3_7	105.8 (5)
C4_3—O3_3—Mg3_3	115.7 (4)	O3_7—C4_7—H41_7	110.6
C7_3—O4_3—C6_3	115.1 (5)	C3_7—C4_7—H41_7	110.6
C7_3—O4_3—Mg3_3	113.0 (4)	O3_7—C4_7—H42_7	110.6
C6_3—O4_3—Mg3_3	113.4 (4)	C3_7—C4_7—H42_7	110.6
C9_3—O5_3—C8_3	115.9 (5)	H41_7—C4_7—H42_7	108.7
C9_3—O5_3—Mg3_3	120.9 (4)	H9A_10—C4_7—H9B_10	104.2
C8_3—O5_3—Mg3_3	122.2 (4)	O3_7—C5_7—C6_7	107.3 (5)
O1_3—C1_3—C2_3	105.7 (5)	O3_7—C5_7—H51_7	110.3
O1_3—C1_3—H11_3	110.6	C6_7—C5_7—H51_7	110.3
C2_3—C1_3—H11_3	110.6	O3_7—C5_7—H52_7	110.3
O1_3—C1_3—H12_3	110.6	C6_7—C5_7—H52_7	110.3
C2_3—C1_3—H12_3	110.6	H51_7—C5_7—H52_7	108.5
H11_3—C1_3—H12_3	108.7	O4_7—C6_7—C5_7	105.7 (6)
H6A_9—C1_3—H6B_9	86.6	O4_7—C6_7—H61_7	110.6
O2_3—C2_3—C1_3	105.4 (5)	C5_7—C6_7—H61_7	110.6
O2_3—C2_3—H21_3	110.7	O4_7—C6_7—H62_7	110.6
C1_3—C2_3—H21_3	110.7	C5_7—C6_7—H62_7	110.6
O2_3—C2_3—H22_3	110.7	H61_7—C6_7—H62_7	108.7
C1_3—C2_3—H22_3	110.7	H1A_10—C6_7—H1B_10	90.7
H21_3—C2_3—H22_3	108.8	O4_7—C7_7—C8_7	107.4 (5)
O2_3—C3_3—C4_3	105.5 (5)	O4_7—C7_7—H71_7	110.2
O2_3—C3_3—H31_3	110.6	C8_7—C7_7—H71_7	110.2
C4_3—C3_3—H31_3	110.6	O4_7—C7_7—H72_7	110.2
O2_3—C3_3—H32_3	110.6	C8_7—C7_7—H72_7	110.2
C4_3—C3_3—H32_3	110.6	H71_7—C7_7—H72_7	108.5
H31_3—C3_3—H32_3	108.8	O5_7—C8_7—C7_7	107.0 (5)
H8A_9—C3_3—H8B_9	101.3	O5_7—C8_7—H81_7	110.3
O3_3—C4_3—C3_3	107.2 (5)	C7_7—C8_7—H81_7	110.3
O3_3—C4_3—H41_3	110.3	O5_7—C8_7—H82_7	110.3
C3_3—C4_3—H41_3	110.3	C7_7—C8_7—H82_7	110.3
O3_3—C4_3—H42_3	110.3	H81_7—C8_7—H82_7	108.6
C3_3—C4_3—H42_3	110.3	H3A_10—C8_7—H3B_10	80.9
H41_3—C4_3—H42_3	108.5	O5_7—C9_7—C10_7	106.9 (5)
H9A_9—C4_3—H9B_9	106.7	O5_7—C9_7—H91_7	110.3
O3_3—C5_3—C6_3	106.9 (5)	C10_7—C9_7—H91_7	110.3
O3_3—C5_3—H51_3	110.3	O5_7—C9_7—H92_7	110.3
C6_3—C5_3—H51_3	110.3	C10_7—C9_7—H92_7	110.3
O3_3—C5_3—H52_3	110.3	H91_7—C9_7—H92_7	108.6
C6_3—C5_3—H52_3	110.3	H4A_10—C9_7—H4B_10	86.2
H51_3—C5_3—H52_3	108.6	O1_7—C10_7—C9_7	104.3 (5)
O4_3—C6_3—C5_3	107.2 (6)	O1_7—C10_7—H101_7	110.9
O4_3—C6_3—H61_3	110.3	C9_7—C10_7—H101_7	110.9
C5_3—C6_3—H61_3	110.3	O1_7—C10_7—H102_7	110.9
O4_3—C6_3—H62_3	110.3	C9_7—C10_7—H102_7	110.9
C5_3—C6_3—H62_3	110.3	H101_7—C10_7—H102_7	108.9
H61_3—C6_3—H62_3	108.5	O7_7—Mg10_10—O6_7	173.1 (3)
H1A_9—C6_3—H1B_9	88.4	O7_7—Mg10_10—O5_10	86.3 (2)
O4_3—C7_3—C8_3	106.7 (5)	O6_7—Mg10_10—O5_10	86.9 (2)
O4_3—C7_3—H71_3	110.4	O7_7—Mg10_10—O2_10	98.9 (2)
C8_3—C7_3—H71_3	110.4	O6_7—Mg10_10—O2_10	87.3 (2)
O4_3—C7_3—H72_3	110.4	O5_10—Mg10_10—O2_10	143.6
C8_3—C7_3—H72_3	110.4	O7_7—Mg10_10—O3_10	87.7 (2)
H71_3—C7_3—H72_3	108.6	O6_7—Mg10_10—O3_10	97.1 (2)
O5_3—C8_3—C7_3	108.4 (5)	O5_10—Mg10_10—O3_10	143.8
O5_3—C8_3—H81_3	110.0	O2_10—Mg10_10—O3_10	72.6
C7_3—C8_3—H81_3	110.0	O7_7—Mg10_10—O4_10	89.5 (2)
O5_3—C8_3—H82_3	110.0	O6_7—Mg10_10—O4_10	87.1 (2)
C7_3—C8_3—H82_3	110.0	O5_10—Mg10_10—O4_10	71.4
H81_3—C8_3—H82_3	108.4	O2_10—Mg10_10—O4_10	144.0
H3A_9—C8_3—H3B_9	75.5	O3_10—Mg10_10—O4_10	72.9
O5_3—C9_3—C10_3	106.0 (5)	O7_7—Mg10_10—O1_10	89.2 (2)
O5_3—C9_3—H91_3	110.5	O6_7—Mg10_10—O1_10	89.8 (2)
C10_3—C9_3—H91_3	110.5	O5_10—Mg10_10—O1_10	71.2
O5_3—C9_3—H92_3	110.5	O2_10—Mg10_10—O1_10	72.9
C10_3—C9_3—H92_3	110.5	O3_10—Mg10_10—O1_10	144.4
H91_3—C9_3—H92_3	108.7	O4_10—Mg10_10—O1_10	142.6
H4A_9—C9_3—H4B_9	86.4	O7_7—Mg10_10—H4W_7	18.7 (7)
O1_3—C10_3—C9_3	105.6 (5)	O6_7—Mg10_10—H4W_7	167.7 (7)
O1_3—C10_3—H101_3	110.6	O5_10—Mg10_10—H4W_7	104.9 (8)
C9_3—C10_3—H101_3	110.6	O2_10—Mg10_10—H4W_7	85.2 (11)
O1_3—C10_3—H102_3	110.6	O3_10—Mg10_10—H4W_7	71.4 (9)
C9_3—C10_3—H102_3	110.6	O4_10—Mg10_10—H4W_7	93.3 (13)
H101_3—C10_3—H102_3	108.7	O1_10—Mg10_10—H4W_7	97.2 (12)
O7_3—Mg9_9—O5_9	85.4 (2)	C10_10—O1_10—C1_10	114.6
O7_3—Mg9_9—O6_3	172.3 (3)	C10_10—O1_10—Mg10_10	112.4
O5_9—Mg9_9—O6_3	87.1 (2)	C1_10—O1_10—Mg10_10	112.8
O7_3—Mg9_9—O2_9	97.9 (2)	C2_10—O2_10—C3_10	113.1
O5_9—Mg9_9—O2_9	144.0	C2_10—O2_10—Mg10_10	117.8
O6_3—Mg9_9—O2_9	87.1 (2)	C3_10—O2_10—Mg10_10	116.8
O7_3—Mg9_9—O3_9	89.8 (2)	C4_10—O3_10—C5_10	114.4
O5_9—Mg9_9—O3_9	143.7	C4_10—O3_10—Mg10_10	115.3
O6_3—Mg9_9—O3_9	97.3 (2)	C5_10—O3_10—Mg10_10	113.9
O2_9—Mg9_9—O3_9	72.3	C7_10—O4_10—C6_10	113.3
O7_3—Mg9_9—O1_9	86.6 (2)	C7_10—O4_10—Mg10_10	113.3
O5_9—Mg9_9—O1_9	72.2	C6_10—O4_10—Mg10_10	113.8
O6_3—Mg9_9—O1_9	89.4 (2)	C9_10—O5_10—C8_10	115.4
O2_9—Mg9_9—O1_9	72.2	C9_10—O5_10—Mg10_10	122.1
O3_9—Mg9_9—O1_9	143.5	C8_10—O5_10—Mg10_10	122.4
O7_3—Mg9_9—O4_9	90.8 (2)	O1_10—C1_10—C2_10	106.0
O5_9—Mg9_9—O4_9	71.7	O1_10—C1_10—H1A_10	110.5
O6_3—Mg9_9—O4_9	88.5 (2)	C2_10—C1_10—H1A_10	110.6
O2_9—Mg9_9—O4_9	143.6	O1_10—C1_10—H1B_10	110.5
O3_9—Mg9_9—O4_9	72.4	C2_10—C1_10—H1B_10	110.5
O1_9—Mg9_9—O4_9	143.9	H1A_10—C1_10—H1B_10	108.7
C1_9—O1_9—C10_9	112.7	O2_10—C2_10—C1_10	105.6
C1_9—O1_9—Mg9_9	114.0	O2_10—C2_10—H2A_10	110.6
C10_9—O1_9—Mg9_9	112.5	C1_10—C2_10—H2A_10	110.6
C3_9—O2_9—C2_9	116.2	O2_10—C2_10—H2B_10	110.6
C3_9—O2_9—Mg9_9	116.2	C1_10—C2_10—H2B_10	110.6
C2_9—O2_9—Mg9_9	116.4	H2A_10—C2_10—H2B_10	108.8
C5_9—O3_9—C4_9	114.1	O2_10—C3_10—C4_10	105.7
C5_9—O3_9—Mg9_9	115.1	O2_10—C3_10—H3A_10	110.6
C4_9—O3_9—Mg9_9	115.0	C4_10—C3_10—H3A_10	110.6
C6_9—O4_9—C7_9	116.3	O2_10—C3_10—H3B_10	110.6
C6_9—O4_9—Mg9_9	114.9	C4_10—C3_10—H3B_10	110.6
C7_9—O4_9—Mg9_9	111.6	H3A_10—C3_10—H3B_10	108.7
C9_9—O5_9—C8_9	117.4	O3_10—C4_10—C3_10	105.7
C9_9—O5_9—Mg9_9	120.7	O3_10—C4_10—H4A_10	110.6
C8_9—O5_9—Mg9_9	121.8	C3_10—C4_10—H4A_10	110.6
O1_9—C1_9—C2_9	107.1	O3_10—C4_10—H4B_10	110.6
O1_9—C1_9—H1A_9	110.3	C3_10—C4_10—H4B_10	110.6
C2_9—C1_9—H1A_9	110.3	H4A_10—C4_10—H4B_10	108.7
O1_9—C1_9—H1B_9	110.3	O3_10—C5_10—C6_10	105.0
C2_9—C1_9—H1B_9	110.3	O3_10—C5_10—H5A_10	110.7
H1A_9—C1_9—H1B_9	108.6	C6_10—C5_10—H5A_10	110.7
O2_9—C2_9—C1_9	106.1	O3_10—C5_10—H5B_10	110.7
O2_9—C2_9—H2A_9	110.5	C6_10—C5_10—H5B_10	110.7
C1_9—C2_9—H2A_9	110.5	H5A_10—C5_10—H5B_10	108.8
O2_9—C2_9—H2B_9	110.5	O4_10—C6_10—C5_10	106.7
C1_9—C2_9—H2B_9	110.5	O4_10—C6_10—H6A_10	110.4
H2A_9—C2_9—H2B_9	108.7	C5_10—C6_10—H6A_10	110.4
O2_9—C3_9—C4_9	105.6	O4_10—C6_10—H6B_10	110.4
O2_9—C3_9—H3A_9	110.6	C5_10—C6_10—H6B_10	110.4
C4_9—C3_9—H3A_9	110.6	H6A_10—C6_10—H6B_10	108.6
O2_9—C3_9—H3B_9	110.6	O4_10—C7_10—C8_10	106.4
C4_9—C3_9—H3B_9	110.6	O4_10—C7_10—H7A_10	110.5
H3A_9—C3_9—H3B_9	108.8	C8_10—C7_10—H7A_10	110.4
O3_9—C4_9—C3_9	106.2	O4_10—C7_10—H7B_10	110.5
O3_9—C4_9—H4A_9	110.5	C8_10—C7_10—H7B_10	110.4
C3_9—C4_9—H4A_9	110.5	H7A_10—C7_10—H7B_10	108.6
O3_9—C4_9—H4B_9	110.5	O5_10—C8_10—C7_10	107.0
C3_9—C4_9—H4B_9	110.5	O5_10—C8_10—H8A_10	110.3
H4A_9—C4_9—H4B_9	108.7	C7_10—C8_10—H8A_10	110.3
O3_9—C5_9—C6_9	106.2	O5_10—C8_10—H8B_10	110.3
O3_9—C5_9—H5A_9	110.5	C7_10—C8_10—H8B_10	110.3
C6_9—C5_9—H5A_9	110.5	H8A_10—C8_10—H8B_10	108.5
O3_9—C5_9—H5B_9	110.5	O5_10—C9_10—C10_10	106.0
C6_9—C5_9—H5B_9	110.5	O5_10—C9_10—H9A_10	110.5
H5A_9—C5_9—H5B_9	108.7	C10_10—C9_10—H9A_10	110.5
O4_9—C6_9—C5_9	106.4	O5_10—C9_10—H9B_10	110.5
O4_9—C6_9—H6A_9	110.4	C10_10—C9_10—H9B_10	110.5
C5_9—C6_9—H6A_9	110.4	H9A_10—C9_10—H9B_10	108.7
O4_9—C6_9—H6B_9	110.4	O1_10—C10_10—C9_10	107.1
C5_9—C6_9—H6B_9	110.4	O1_10—C10_10—H10A_10	110.3
H6A_9—C6_9—H6B_9	108.6	C9_10—C10_10—H10A_10	110.3
O4_9—C7_9—C8_9	108.5	O1_10—C10_10—H10B_10	110.3
O4_9—C7_9—H7A_9	110.0	C9_10—C10_10—H10B_10	110.3
C8_9—C7_9—H7A_9	110.0	H10A_10—C10_10—H10B_10	108.6
O4_9—C7_9—H7B_9	110.0	Mg8_8—O6_8—H1W_8	122 (3)
C8_9—C7_9—H7B_9	110.0	Mg8_8—O6_8—H2W_8	132 (3)
H7A_9—C7_9—H7B_9	108.3	H1W_8—O6_8—H2W_8	106 (2)
O5_9—C8_9—C7_9	107.2	Mg8_8—O7_8—H3W_8	124 (4)
O5_9—C8_9—H8A_9	110.3	Mg8_8—O7_8—H4W_8	124 (4)
C7_9—C8_9—H8A_9	110.3	H3W_8—O7_8—H4W_8	107 (2)
O5_9—C8_9—H8B_9	110.3	O6_8—Mg8_8—O7_8	178.3 (2)
C7_9—C8_9—H8B_9	110.3	O6_8—Mg8_8—O5_8	88.36 (18)
H8A_9—C8_9—H8B_9	108.5	O7_8—Mg8_8—O5_8	90.09 (17)
O5_9—C9_9—C10_9	107.2	O6_8—Mg8_8—O2_8	95.62 (19)
O5_9—C9_9—H9A_9	110.3	O7_8—Mg8_8—O2_8	85.15 (19)
C10_9—C9_9—H9A_9	110.3	O5_8—Mg8_8—O2_8	143.38 (16)
O5_9—C9_9—H9B_9	110.3	O6_8—Mg8_8—O3_8	86.27 (17)
C10_9—C9_9—H9B_9	110.3	O7_8—Mg8_8—O3_8	95.46 (18)
H9A_9—C9_9—H9B_9	108.6	O5_8—Mg8_8—O3_8	144.44 (17)
O1_9—C10_9—C9_9	104.7	O2_8—Mg8_8—O3_8	72.17 (14)
O1_9—C10_9—H10A_9	110.8	O6_8—Mg8_8—O4_8	91.0 (2)
C9_9—C10_9—H10A_9	110.8	O7_8—Mg8_8—O4_8	89.3 (2)
O1_9—C10_9—H10B_9	110.8	O5_8—Mg8_8—O4_8	71.33 (15)
C9_9—C10_9—H10B_9	110.8	O2_8—Mg8_8—O4_8	144.62 (16)
H10A_9—C10_9—H10B_9	108.9	O3_8—Mg8_8—O4_8	73.65 (14)
Mg4_4—O6_4—H1W_4	133 (3)	O6_8—Mg8_8—O1_8	87.64 (19)
Mg4_4—O6_4—H2W_4	117 (3)	O7_8—Mg8_8—O1_8	91.11 (19)
H1W_4—O6_4—H2W_4	108 (2)	O5_8—Mg8_8—O1_8	71.49 (14)
Mg4_4—O7_4—H3W_4	123 (4)	O2_8—Mg8_8—O1_8	72.32 (14)
Mg4_4—O7_4—H4W_4	124 (4)	O3_8—Mg8_8—O1_8	143.14 (15)
H3W_4—O7_4—H4W_4	109 (2)	O4_8—Mg8_8—O1_8	142.82 (15)
O7_4—Mg4_4—O6_4	177.9 (2)	C10_8—O1_8—C1_8	112.0 (4)
O7_4—Mg4_4—O5_4	89.00 (17)	C10_8—O1_8—Mg8_8	112.7 (3)
O6_4—Mg4_4—O5_4	89.64 (18)	C1_8—O1_8—Mg8_8	112.6 (3)
O7_4—Mg4_4—O2_4	85.60 (18)	C2_8—O2_8—C3_8	114.8 (4)
O6_4—Mg4_4—O2_4	96.45 (18)	C2_8—O2_8—Mg8_8	118.0 (3)
O5_4—Mg4_4—O2_4	144.20 (17)	C3_8—O2_8—Mg8_8	116.1 (3)
O7_4—Mg4_4—O3_4	94.69 (18)	C4_8—O3_8—C5_8	114.3 (4)
O6_4—Mg4_4—O3_4	85.45 (18)	C4_8—O3_8—Mg8_8	115.8 (3)
O5_4—Mg4_4—O3_4	143.53 (17)	C5_8—O3_8—Mg8_8	113.1 (3)
O2_4—Mg4_4—O3_4	72.26 (14)	C7_8—O4_8—C6_8	113.9 (4)
O7_4—Mg4_4—O1_4	91.0 (2)	C7_8—O4_8—Mg8_8	113.6 (3)
O6_4—Mg4_4—O1_4	90.07 (18)	C6_8—O4_8—Mg8_8	114.0 (3)
O5_4—Mg4_4—O1_4	72.18 (14)	C9_8—O5_8—C8_8	116.4 (4)
O2_4—Mg4_4—O1_4	72.57 (14)	C9_8—O5_8—Mg8_8	121.3 (3)
O3_4—Mg4_4—O1_4	143.76 (15)	C8_8—O5_8—Mg8_8	122.3 (3)
O7_4—Mg4_4—O4_4	87.61 (19)	O1_8—C1_8—C2_8	106.7 (5)
O6_4—Mg4_4—O4_4	90.4 (2)	O1_8—C1_8—H11_8	110.4
O5_4—Mg4_4—O4_4	71.82 (15)	C2_8—C1_8—H11_8	110.4
O2_4—Mg4_4—O4_4	142.97 (16)	O1_8—C1_8—H12_8	110.4
O3_4—Mg4_4—O4_4	72.10 (14)	C2_8—C1_8—H12_8	110.4
O1_4—Mg4_4—O4_4	143.99 (15)	H11_8—C1_8—H12_8	108.6
C10_4—O1_4—C1_4	113.8 (4)	O2_8—C2_8—C1_8	104.9 (4)
C10_4—O1_4—Mg4_4	113.5 (3)	O2_8—C2_8—H21_8	110.8
C1_4—O1_4—Mg4_4	114.4 (3)	C1_8—C2_8—H21_8	110.8
C2_4—O2_4—C3_4	115.0 (4)	O2_8—C2_8—H22_8	110.8
C2_4—O2_4—Mg4_4	116.4 (3)	C1_8—C2_8—H22_8	110.8
C3_4—O2_4—Mg4_4	116.1 (3)	H21_8—C2_8—H22_8	108.9
C5_4—O3_4—C4_4	113.7 (4)	O2_8—C3_8—C4_8	106.2 (4)
C5_4—O3_4—Mg4_4	116.4 (3)	O2_8—C3_8—H31_8	110.5
C4_4—O3_4—Mg4_4	115.4 (3)	C4_8—C3_8—H31_8	110.5
C6_4—O4_4—C7_4	114.2 (5)	O2_8—C3_8—H32_8	110.5
C6_4—O4_4—Mg4_4	115.2 (3)	C4_8—C3_8—H32_8	110.5
C7_4—O4_4—Mg4_4	112.4 (3)	H31_8—C3_8—H32_8	108.7
C9_4—O5_4—C8_4	115.9 (4)	O3_8—C4_8—C3_8	105.5 (4)
C9_4—O5_4—Mg4_4	121.2 (3)	O3_8—C4_8—H41_8	110.6
C8_4—O5_4—Mg4_4	122.7 (3)	C3_8—C4_8—H41_8	110.6
O1_4—C1_4—C2_4	106.6 (5)	O3_8—C4_8—H42_8	110.6
O1_4—C1_4—H11_4	110.4	C3_8—C4_8—H42_8	110.6
C2_4—C1_4—H11_4	110.4	H41_8—C4_8—H42_8	108.8
O1_4—C1_4—H12_4	110.4	O3_8—C5_8—C6_8	105.6 (5)
C2_4—C1_4—H12_4	110.4	O3_8—C5_8—H51_8	110.6
H11_4—C1_4—H12_4	108.6	C6_8—C5_8—H51_8	110.6
O2_4—C2_4—C1_4	106.8 (4)	O3_8—C5_8—H52_8	110.6
O2_4—C2_4—H21_4	110.4	C6_8—C5_8—H52_8	110.6
C1_4—C2_4—H21_4	110.4	H51_8—C5_8—H52_8	108.8
O2_4—C2_4—H22_4	110.4	O4_8—C6_8—C5_8	105.9 (5)
C1_4—C2_4—H22_4	110.4	O4_8—C6_8—H61_8	110.5
H21_4—C2_4—H22_4	108.6	C5_8—C6_8—H61_8	110.5
O2_4—C3_4—C4_4	105.0 (4)	O4_8—C6_8—H62_8	110.5
O2_4—C3_4—H31_4	110.8	C5_8—C6_8—H62_8	110.5
C4_4—C3_4—H31_4	110.8	H61_8—C6_8—H62_8	108.7
O2_4—C3_4—H32_4	110.8	O4_8—C7_8—C8_8	107.5 (5)
C4_4—C3_4—H32_4	110.8	O4_8—C7_8—H71_8	110.2
H31_4—C3_4—H32_4	108.8	C8_8—C7_8—H71_8	110.2
O3_4—C4_4—C3_4	105.7 (4)	O4_8—C7_8—H72_8	110.2
O3_4—C4_4—H41_4	110.6	C8_8—C7_8—H72_8	110.2
C3_4—C4_4—H41_4	110.6	H71_8—C7_8—H72_8	108.5
O3_4—C4_4—H42_4	110.6	O5_8—C8_8—C7_8	106.2 (4)
C3_4—C4_4—H42_4	110.6	O5_8—C8_8—H81_8	110.5
H41_4—C4_4—H42_4	108.7	C7_8—C8_8—H81_8	110.5
O3_4—C5_4—C6_4	106.4 (5)	O5_8—C8_8—H82_8	110.5
O3_4—C5_4—H51_4	110.5	C7_8—C8_8—H82_8	110.5
C6_4—C5_4—H51_4	110.5	H81_8—C8_8—H82_8	108.7
O3_4—C5_4—H52_4	110.5	O5_8—C9_8—C10_8	106.9 (4)
C6_4—C5_4—H52_4	110.5	O5_8—C9_8—H91_8	110.3
H51_4—C5_4—H52_4	108.6	C10_8—C9_8—H91_8	110.3
O4_4—C6_4—C5_4	107.3 (5)	O5_8—C9_8—H92_8	110.3
O4_4—C6_4—H61_4	110.3	C10_8—C9_8—H92_8	110.3
C5_4—C6_4—H61_4	110.3	H91_8—C9_8—H92_8	108.6
O4_4—C6_4—H62_4	110.3	O1_8—C10_8—C9_8	105.0 (4)
C5_4—C6_4—H62_4	110.3	O1_8—C10_8—H101_8	110.8
H61_4—C6_4—H62_4	108.5	C9_8—C10_8—H101_8	110.8
O4_4—C7_4—C8_4	107.3 (5)	O1_8—C10_8—H102_8	110.8
O4_4—C7_4—H71_4	110.3	C9_8—C10_8—H102_8	110.8
C8_4—C7_4—H71_4	110.3	H101_8—C10_8—H102_8	108.8
O4_4—C7_4—H72_4	110.3	O8_11—N1_11—O9_11	117.9 (5)
C8_4—C7_4—H72_4	110.3	O8_11—N1_11—O10_11	121.5 (6)
H71_4—C7_4—H72_4	108.5	O9_11—N1_11—O10_11	120.4 (5)
O5_4—C8_4—C7_4	106.4 (4)	O8_12—N2_12—O10_12	123.4 (5)
O5_4—C8_4—H81_4	110.5	O8_12—N2_12—O9_12	117.9 (5)
C7_4—C8_4—H81_4	110.5	O10_12—N2_12—O9_12	118.6 (5)
O5_4—C8_4—H82_4	110.5	O8_13—N3_13—O9_13	117.1 (5)
C7_4—C8_4—H82_4	110.5	O8_13—N3_13—O10_13	123.5 (6)
H81_4—C8_4—H82_4	108.6	O9_13—N3_13—O10_13	119.1 (5)
O5_4—C9_4—C10_4	106.6 (4)	O8_14—N4_14—O10_14	124.9 (6)
O5_4—C9_4—H91_4	110.4	O8_14—N4_14—O9_14	115.6 (5)
C10_4—C9_4—H91_4	110.4	O10_14—N4_14—O9_14	119.1 (5)
O5_4—C9_4—H92_4	110.4	O10_15—N5_15—O8_15	123.4 (5)
C10_4—C9_4—H92_4	110.4	O10_15—N5_15—O9_15	118.4 (5)
H91_4—C9_4—H92_4	108.6	O8_15—N5_15—O9_15	118.1 (5)
O1_4—C10_4—C9_4	106.3 (4)	O8_16—N6_16—O9_16	116.2 (5)
O1_4—C10_4—H101_4	110.5	O8_16—N6_16—O10_16	123.0 (6)
C9_4—C10_4—H101_4	110.5	O9_16—N6_16—O10_16	120.5 (5)
O1_4—C10_4—H102_4	110.5	O10_17—N7_17—O8_17	124.6 (5)
C9_4—C10_4—H102_4	110.5	O10_17—N7_17—O9_17	119.2 (5)
H101_4—C10_4—H102_4	108.7	O8_17—N7_17—O9_17	116.0 (5)
Mg5_5—O6_5—H1W_5	126 (4)	O9_18—N8_18—O8_18	116.6 (5)
Mg5_5—O6_5—H2W_5	127 (4)	O9_18—N8_18—O10_18	118.6 (5)
H1W_5—O6_5—H2W_5	107 (2)	O8_18—N8_18—O10_18	124.4 (6)
Mg5_5—O7_5—H3W_5	122 (3)	O10_19—N9_19—O8_19	123.7 (5)
Mg5_5—O7_5—H4W_5	124 (4)	O10_19—N9_19—O9_19	118.8 (5)
H3W_5—O7_5—H4W_5	107 (2)	O8_19—N9_19—O9_19	117.5 (5)
O6_5—Mg5_5—O7_5	178.4 (2)	O8_20—N10_20—O10_20	122.1 (6)
O6_5—Mg5_5—O5_5	88.84 (18)	O8_20—N10_20—O9_20	118.7 (5)
O7_5—Mg5_5—O5_5	90.33 (17)	O10_20—N10_20—O9_20	119.2 (5)
O6_5—Mg5_5—O2_5	95.33 (18)	O10_21—N11_21—O8_21	121.5 (5)
O7_5—Mg5_5—O2_5	84.55 (18)	O10_21—N11_21—O9_21	118.7 (5)
O5_5—Mg5_5—O2_5	143.16 (16)	O8_21—N11_21—O9_21	119.9 (5)
O6_5—Mg5_5—O3_5	86.63 (17)	O10_22—N12_22—O8_22	122.9 (6)
O7_5—Mg5_5—O3_5	94.82 (18)	O10_22—N12_22—O9_22	118.9 (5)
O5_5—Mg5_5—O3_5	144.18 (16)	O8_22—N12_22—O9_22	118.1 (5)
O2_5—Mg5_5—O3_5	72.66 (15)	O8_23—N13_23—O10_23	123.8 (6)
O6_5—Mg5_5—O4_5	91.5 (2)	O8_23—N13_23—O9_23	119.0 (5)
O7_5—Mg5_5—O4_5	89.45 (18)	O10_23—N13_23—O9_23	117.2 (5)
O5_5—Mg5_5—O4_5	71.16 (15)	O10_24—N14_24—O9_24	119.6 (5)
O2_5—Mg5_5—O4_5	144.92 (15)	O10_24—N14_24—O8_24	121.1 (5)
O3_5—Mg5_5—O4_5	73.47 (14)	O9_24—N14_24—O8_24	119.3 (5)
O6_5—Mg5_5—O1_5	88.02 (18)	O8_25—N15_25—O10_25	120.2 (6)
O7_5—Mg5_5—O1_5	90.46 (18)	O8_25—N15_25—O9_25	120.1 (5)
O5_5—Mg5_5—O1_5	71.11 (14)	O10_25—N15_25—O9_25	119.7 (5)
O2_5—Mg5_5—O1_5	72.47 (14)	O8_26—N16_26—O10_26	122.2 (6)
O3_5—Mg5_5—O1_5	144.02 (16)	O8_26—N16_26—O9_26	120.3 (5)
O4_5—Mg5_5—O1_5	142.27 (15)	O10_26—N16_26—O9_26	117.4 (5)
C1_5—O1_5—C10_5	112.2 (4)
O7_1—Mg1_1—O1_1—C1_1	−69.0 (4)	O6_5—Mg5_5—O1_5—C1_5	−115.3 (4)
O6_1—Mg1_1—O1_1—C1_1	112.8 (4)	O7_5—Mg5_5—O1_5—C1_5	65.0 (4)
O5_1—Mg1_1—O1_1—C1_1	−158.0 (4)	O5_5—Mg5_5—O1_5—C1_5	155.2 (4)
O2_1—Mg1_1—O1_1—C1_1	16.2 (4)	O2_5—Mg5_5—O1_5—C1_5	−19.1 (4)
O3_1—Mg1_1—O1_1—C1_1	29.1 (5)	O3_5—Mg5_5—O1_5—C1_5	−33.8 (5)
O4_1—Mg1_1—O1_1—C1_1	−154.9 (4)	O4_5—Mg5_5—O1_5—C1_5	154.7 (4)
O7_1—Mg1_1—O1_1—C10_1	64.5 (4)	O6_5—Mg5_5—O1_5—C10_5	117.9 (4)
O6_1—Mg1_1—O1_1—C10_1	−113.7 (4)	O7_5—Mg5_5—O1_5—C10_5	−61.8 (4)
O5_1—Mg1_1—O1_1—C10_1	−24.4 (3)	O5_5—Mg5_5—O1_5—C10_5	28.4 (3)
O2_1—Mg1_1—O1_1—C10_1	149.7 (4)	O2_5—Mg5_5—O1_5—C10_5	−145.9 (4)
O3_1—Mg1_1—O1_1—C10_1	162.6 (4)	O3_5—Mg5_5—O1_5—C10_5	−160.7 (4)
O4_1—Mg1_1—O1_1—C10_1	−21.3 (5)	O4_5—Mg5_5—O1_5—C10_5	27.9 (5)
O7_1—Mg1_1—O2_1—C2_1	106.6 (4)	O6_5—Mg5_5—O2_5—C2_5	72.0 (4)
O6_1—Mg1_1—O2_1—C2_1	−73.7 (4)	O7_5—Mg5_5—O2_5—C2_5	−106.4 (4)
O5_1—Mg1_1—O2_1—C2_1	24.0 (5)	O5_5—Mg5_5—O2_5—C2_5	−23.2 (5)
O3_1—Mg1_1—O2_1—C2_1	−157.7 (4)	O3_5—Mg5_5—O2_5—C2_5	156.8 (4)
O4_1—Mg1_1—O2_1—C2_1	−174.6 (4)	O4_5—Mg5_5—O2_5—C2_5	172.4 (4)
O1_1—Mg1_1—O2_1—C2_1	14.5 (4)	O1_5—Mg5_5—O2_5—C2_5	−14.2 (4)
O7_1—Mg1_1—O2_1—C3_1	−113.5 (4)	O6_5—Mg5_5—O2_5—C3_5	−69.3 (4)
O6_1—Mg1_1—O2_1—C3_1	66.2 (4)	O7_5—Mg5_5—O2_5—C3_5	112.3 (4)
O5_1—Mg1_1—O2_1—C3_1	163.9 (4)	O5_5—Mg5_5—O2_5—C3_5	−164.5 (4)
O3_1—Mg1_1—O2_1—C3_1	−17.8 (4)	O3_5—Mg5_5—O2_5—C3_5	15.5 (4)
O4_1—Mg1_1—O2_1—C3_1	−34.7 (5)	O4_5—Mg5_5—O2_5—C3_5	31.0 (5)
O1_1—Mg1_1—O2_1—C3_1	154.4 (4)	O1_5—Mg5_5—O2_5—C3_5	−155.5 (4)
O7_1—Mg1_1—O3_1—C5_1	−66.1 (4)	O6_5—Mg5_5—O3_5—C4_5	112.3 (4)
O6_1—Mg1_1—O3_1—C5_1	111.9 (4)	O7_5—Mg5_5—O3_5—C4_5	−67.1 (4)
O5_1—Mg1_1—O3_1—C5_1	28.2 (6)	O5_5—Mg5_5—O3_5—C4_5	−164.4 (4)
O2_1—Mg1_1—O3_1—C5_1	−150.2 (4)	O2_5—Mg5_5—O3_5—C4_5	15.7 (4)
O4_1—Mg1_1—O3_1—C5_1	19.4 (4)	O4_5—Mg5_5—O3_5—C4_5	−155.1 (4)
O1_1—Mg1_1—O3_1—C5_1	−163.1 (4)	O1_5—Mg5_5—O3_5—C4_5	30.4 (5)
O7_1—Mg1_1—O3_1—C4_1	68.9 (4)	O6_5—Mg5_5—O3_5—C5_5	−111.9 (4)
O6_1—Mg1_1—O3_1—C4_1	−113.1 (4)	O7_5—Mg5_5—O3_5—C5_5	68.7 (4)
O5_1—Mg1_1—O3_1—C4_1	163.2 (4)	O5_5—Mg5_5—O3_5—C5_5	−28.6 (6)
O2_1—Mg1_1—O3_1—C4_1	−15.2 (3)	O2_5—Mg5_5—O3_5—C5_5	151.5 (4)
O4_1—Mg1_1—O3_1—C4_1	154.4 (4)	O4_5—Mg5_5—O3_5—C5_5	−19.3 (4)
O1_1—Mg1_1—O3_1—C4_1	−28.1 (5)	O1_5—Mg5_5—O3_5—C5_5	166.2 (4)
O7_1—Mg1_1—O4_1—C7_1	−118.9 (4)	O6_5—Mg5_5—O4_5—C7_5	−62.1 (4)
O6_1—Mg1_1—O4_1—C7_1	60.2 (4)	O7_5—Mg5_5—O4_5—C7_5	116.7 (4)
O5_1—Mg1_1—O4_1—C7_1	−28.6 (4)	O5_5—Mg5_5—O4_5—C7_5	26.1 (4)
O2_1—Mg1_1—O4_1—C7_1	162.8 (4)	O2_5—Mg5_5—O4_5—C7_5	−163.7 (4)
O3_1—Mg1_1—O4_1—C7_1	145.9 (4)	O3_5—Mg5_5—O4_5—C7_5	−148.2 (4)
O1_1—Mg1_1—O4_1—C7_1	−31.8 (5)	O1_5—Mg5_5—O4_5—C7_5	26.6 (5)
O7_1—Mg1_1—O4_1—C6_1	107.7 (4)	O6_5—Mg5_5—O4_5—C6_5	72.8 (4)
O6_1—Mg1_1—O4_1—C6_1	−73.2 (4)	O7_5—Mg5_5—O4_5—C6_5	−108.4 (4)
O5_1—Mg1_1—O4_1—C6_1	−162.0 (4)	O5_5—Mg5_5—O4_5—C6_5	161.1 (4)
O2_1—Mg1_1—O4_1—C6_1	29.4 (6)	O2_5—Mg5_5—O4_5—C6_5	−28.7 (6)
O3_1—Mg1_1—O4_1—C6_1	12.4 (4)	O3_5—Mg5_5—O4_5—C6_5	−13.2 (4)
O1_1—Mg1_1—O4_1—C6_1	−165.2 (4)	O1_5—Mg5_5—O4_5—C6_5	161.5 (4)
O7_1—Mg1_1—O5_1—C8_1	90.1 (5)	O6_5—Mg5_5—O5_5—C8_5	90.4 (5)
O6_1—Mg1_1—O5_1—C8_1	−88.5 (4)	O7_5—Mg5_5—O5_5—C8_5	−90.9 (5)
O2_1—Mg1_1—O5_1—C8_1	171.6 (4)	O2_5—Mg5_5—O5_5—C8_5	−172.3 (4)
O3_1—Mg1_1—O5_1—C8_1	−5.8 (6)	O3_5—Mg5_5—O5_5—C8_5	7.8 (6)
O4_1—Mg1_1—O5_1—C8_1	3.1 (4)	O4_5—Mg5_5—O5_5—C8_5	−1.6 (4)
O1_1—Mg1_1—O5_1—C8_1	−178.9 (5)	O1_5—Mg5_5—O5_5—C8_5	178.7 (5)
O7_1—Mg1_1—O5_1—C9_1	−95.2 (4)	O6_5—Mg5_5—O5_5—C9_5	−86.3 (4)
O6_1—Mg1_1—O5_1—C9_1	86.2 (4)	O7_5—Mg5_5—O5_5—C9_5	92.4 (4)
O2_1—Mg1_1—O5_1—C9_1	−13.7 (6)	O2_5—Mg5_5—O5_5—C9_5	11.1 (6)
O3_1—Mg1_1—O5_1—C9_1	168.9 (4)	O3_5—Mg5_5—O5_5—C9_5	−168.9 (4)
O4_1—Mg1_1—O5_1—C9_1	177.8 (4)	O4_5—Mg5_5—O5_5—C9_5	−178.3 (4)
O1_1—Mg1_1—O5_1—C9_1	−4.2 (4)	O1_5—Mg5_5—O5_5—C9_5	2.0 (4)
C10_1—O1_1—C1_1—C2_1	−174.3 (5)	C10_5—O1_5—C1_5—C2_5	174.1 (5)
Mg1_1—O1_1—C1_1—C2_1	−41.6 (6)	Mg5_5—O1_5—C1_5—C2_5	47.4 (5)
C3_1—O2_1—C2_1—C1_1	178.9 (5)	C3_5—O2_5—C2_5—C1_5	−176.9 (5)
Mg1_1—O2_1—C2_1—C1_1	−40.5 (6)	Mg5_5—O2_5—C2_5—C1_5	41.8 (6)
O1_1—C1_1—C2_1—O2_1	51.8 (7)	O1_5—C1_5—C2_5—O2_5	−55.9 (6)
C2_1—O2_1—C3_1—C4_1	−174.8 (5)	C2_5—O2_5—C3_5—C4_5	175.7 (5)
Mg1_1—O2_1—C3_1—C4_1	44.7 (6)	Mg5_5—O2_5—C3_5—C4_5	−42.0 (6)
C5_1—O3_1—C4_1—C3_1	178.7 (5)	C5_5—O3_5—C4_5—C3_5	−176.4 (5)
Mg1_1—O3_1—C4_1—C3_1	43.1 (5)	Mg5_5—O3_5—C4_5—C3_5	−41.6 (5)
O2_1—C3_1—C4_1—O3_1	−54.3 (6)	O2_5—C3_5—C4_5—O3_5	51.8 (6)
C4_1—O3_1—C5_1—C6_1	179.1 (5)	C4_5—O3_5—C5_5—C6_5	−176.6 (5)
Mg1_1—O3_1—C5_1—C6_1	−45.6 (6)	Mg5_5—O3_5—C5_5—C6_5	47.1 (6)
C7_1—O4_1—C6_1—C5_1	−173.0 (5)	C7_5—O4_5—C6_5—C5_5	175.0 (5)
Mg1_1—O4_1—C6_1—C5_1	−39.8 (6)	Mg5_5—O4_5—C6_5—C5_5	41.0 (6)
O3_1—C5_1—C6_1—O4_1	53.6 (7)	O3_5—C5_5—C6_5—O4_5	−56.2 (7)
C6_1—O4_1—C7_1—C8_1	−178.7 (5)	C6_5—O4_5—C7_5—C8_5	180.0 (5)
Mg1_1—O4_1—C7_1—C8_1	47.6 (6)	Mg5_5—O4_5—C7_5—C8_5	−45.6 (6)
C9_1—O5_1—C8_1—C7_1	−154.5 (5)	C9_5—O5_5—C8_5—C7_5	155.6 (5)
Mg1_1—O5_1—C8_1—C7_1	20.4 (7)	Mg5_5—O5_5—C8_5—C7_5	−21.1 (7)
O4_1—C7_1—C8_1—O5_1	−41.9 (7)	O4_5—C7_5—C8_5—O5_5	41.4 (7)
C8_1—O5_1—C9_1—C10_1	−155.1 (5)	C8_5—O5_5—C9_5—C10_5	153.5 (5)
Mg1_1—O5_1—C9_1—C10_1	29.9 (6)	Mg5_5—O5_5—C9_5—C10_5	−29.7 (6)
C1_1—O1_1—C10_1—C9_1	−179.4 (5)	C1_5—O1_5—C10_5—C9_5	−178.2 (5)
Mg1_1—O1_1—C10_1—C9_1	47.3 (5)	Mg5_5—O1_5—C10_5—C9_5	−51.5 (5)
O5_1—C9_1—C10_1—O1_1	−47.6 (6)	O5_5—C9_5—C10_5—O1_5	50.4 (6)
O6_2—Mg2_2—O1_2—C1_2	−115.1 (4)	O7_6—Mg6_6—O1_6—C1_6	−67.2 (4)
O7_2—Mg2_2—O1_2—C1_2	64.8 (4)	O6_6—Mg6_6—O1_6—C1_6	114.3 (4)
O5_2—Mg2_2—O1_2—C1_2	154.9 (4)	O5_6—Mg6_6—O1_6—C1_6	−156.7 (4)
O2_2—Mg2_2—O1_2—C1_2	−19.5 (4)	O2_6—Mg6_6—O1_6—C1_6	17.2 (4)
O3_2—Mg2_2—O1_2—C1_2	−34.5 (5)	O3_6—Mg6_6—O1_6—C1_6	30.3 (5)
O4_2—Mg2_2—O1_2—C1_2	155.6 (4)	O4_6—Mg6_6—O1_6—C1_6	−153.6 (4)
O6_2—Mg2_2—O1_2—C10_2	117.4 (4)	O7_6—Mg6_6—O1_6—C10_6	66.4 (4)
O7_2—Mg2_2—O1_2—C10_2	−62.7 (4)	O6_6—Mg6_6—O1_6—C10_6	−112.1 (4)
O5_2—Mg2_2—O1_2—C10_2	27.4 (3)	O5_6—Mg6_6—O1_6—C10_6	−23.0 (4)
O2_2—Mg2_2—O1_2—C10_2	−147.0 (4)	O2_6—Mg6_6—O1_6—C10_6	150.9 (4)
O3_2—Mg2_2—O1_2—C10_2	−162.0 (4)	O3_6—Mg6_6—O1_6—C10_6	164.0 (4)
O4_2—Mg2_2—O1_2—C10_2	28.1 (5)	O4_6—Mg6_6—O1_6—C10_6	−19.9 (5)
O6_2—Mg2_2—O2_2—C3_2	−69.3 (4)	O7_6—Mg6_6—O2_6—C3_6	−112.5 (4)
O7_2—Mg2_2—O2_2—C3_2	111.6 (4)	O6_6—Mg6_6—O2_6—C3_6	67.2 (4)
O5_2—Mg2_2—O2_2—C3_2	−164.7 (4)	O5_6—Mg6_6—O2_6—C3_6	165.2 (4)
O3_2—Mg2_2—O2_2—C3_2	15.0 (4)	O3_6—Mg6_6—O2_6—C3_6	−16.8 (4)
O4_2—Mg2_2—O2_2—C3_2	29.4 (5)	O1_6—Mg6_6—O2_6—C3_6	155.2 (4)
O1_2—Mg2_2—O2_2—C3_2	−155.7 (4)	O4_6—Mg6_6—O2_6—C3_6	−33.9 (5)
O6_2—Mg2_2—O2_2—C2_2	72.5 (4)	O7_6—Mg6_6—O2_6—C2_6	106.3 (4)
O7_2—Mg2_2—O2_2—C2_2	−106.6 (4)	O6_6—Mg6_6—O2_6—C2_6	−74.0 (4)
O5_2—Mg2_2—O2_2—C2_2	−22.9 (6)	O5_6—Mg6_6—O2_6—C2_6	24.0 (6)
O3_2—Mg2_2—O2_2—C2_2	156.8 (4)	O3_6—Mg6_6—O2_6—C2_6	−157.9 (4)
O4_2—Mg2_2—O2_2—C2_2	171.2 (4)	O1_6—Mg6_6—O2_6—C2_6	14.0 (4)
O1_2—Mg2_2—O2_2—C2_2	−13.9 (4)	O4_6—Mg6_6—O2_6—C2_6	−175.1 (4)
O6_2—Mg2_2—O3_2—C4_2	112.2 (4)	O7_6—Mg6_6—O3_6—C5_6	−66.8 (5)
O7_2—Mg2_2—O3_2—C4_2	−67.2 (4)	O6_6—Mg6_6—O3_6—C5_6	111.5 (4)
O5_2—Mg2_2—O3_2—C4_2	−164.5 (4)	O5_6—Mg6_6—O3_6—C5_6	27.9 (6)
O2_2—Mg2_2—O3_2—C4_2	15.9 (4)	O2_6—Mg6_6—O3_6—C5_6	−150.2 (4)
O4_2—Mg2_2—O3_2—C4_2	−155.5 (4)	O1_6—Mg6_6—O3_6—C5_6	−163.3 (4)
O1_2—Mg2_2—O3_2—C4_2	30.9 (5)	O4_6—Mg6_6—O3_6—C5_6	19.1 (4)
O6_2—Mg2_2—O3_2—C5_2	−109.4 (4)	O7_6—Mg6_6—O3_6—C4_6	68.2 (4)
O7_2—Mg2_2—O3_2—C5_2	71.3 (4)	O6_6—Mg6_6—O3_6—C4_6	−113.5 (4)
O5_2—Mg2_2—O3_2—C5_2	−26.0 (6)	O5_6—Mg6_6—O3_6—C4_6	162.9 (4)
O2_2—Mg2_2—O3_2—C5_2	154.3 (4)	O2_6—Mg6_6—O3_6—C4_6	−15.2 (4)
O4_2—Mg2_2—O3_2—C5_2	−17.0 (4)	O1_6—Mg6_6—O3_6—C4_6	−28.3 (5)
O1_2—Mg2_2—O3_2—C5_2	169.3 (4)	O4_6—Mg6_6—O3_6—C4_6	154.1 (4)
O6_2—Mg2_2—O4_2—C7_2	−63.2 (4)	O7_6—Mg6_6—O4_6—C6_6	107.4 (4)
O7_2—Mg2_2—O4_2—C7_2	116.3 (4)	O6_6—Mg6_6—O4_6—C6_6	−73.4 (4)
O5_2—Mg2_2—O4_2—C7_2	25.7 (4)	O5_6—Mg6_6—O4_6—C6_6	−162.1 (5)
O2_2—Mg2_2—O4_2—C7_2	−163.1 (4)	O2_6—Mg6_6—O4_6—C6_6	29.6 (6)
O3_2—Mg2_2—O4_2—C7_2	−148.8 (4)	O3_6—Mg6_6—O4_6—C6_6	12.4 (4)
O1_2—Mg2_2—O4_2—C7_2	25.0 (5)	O1_6—Mg6_6—O4_6—C6_6	−165.2 (4)
O6_2—Mg2_2—O4_2—C6_2	70.0 (4)	O7_6—Mg6_6—O4_6—C7_6	−118.3 (4)
O7_2—Mg2_2—O4_2—C6_2	−110.5 (4)	O6_6—Mg6_6—O4_6—C7_6	61.0 (4)
O5_2—Mg2_2—O4_2—C6_2	158.9 (4)	O5_6—Mg6_6—O4_6—C7_6	−27.7 (4)
O2_2—Mg2_2—O4_2—C6_2	−29.9 (6)	O2_6—Mg6_6—O4_6—C7_6	163.9 (4)
O3_2—Mg2_2—O4_2—C6_2	−15.6 (4)	O3_6—Mg6_6—O4_6—C7_6	146.7 (4)
O1_2—Mg2_2—O4_2—C6_2	158.2 (4)	O1_6—Mg6_6—O4_6—C7_6	−30.9 (5)
O6_2—Mg2_2—O5_2—C8_2	91.0 (4)	O7_6—Mg6_6—O5_6—C9_6	−95.9 (4)
O7_2—Mg2_2—O5_2—C8_2	−89.9 (5)	O6_6—Mg6_6—O5_6—C9_6	85.4 (4)
O2_2—Mg2_2—O5_2—C8_2	−171.8 (4)	O2_6—Mg6_6—O5_6—C9_6	−15.1 (6)
O3_2—Mg2_2—O5_2—C8_2	8.7 (6)	O3_6—Mg6_6—O5_6—C9_6	168.1 (4)
O4_2—Mg2_2—O5_2—C8_2	−0.3 (4)	O1_6—Mg6_6—O5_6—C9_6	−5.0 (4)
O1_2—Mg2_2—O5_2—C8_2	179.2 (5)	O4_6—Mg6_6—O5_6—C9_6	176.9 (4)
O6_2—Mg2_2—O5_2—C9_2	−86.1 (4)	O7_6—Mg6_6—O5_6—C8_6	90.1 (5)
O7_2—Mg2_2—O5_2—C9_2	93.0 (4)	O6_6—Mg6_6—O5_6—C8_6	−88.7 (5)
O2_2—Mg2_2—O5_2—C9_2	11.1 (6)	O2_6—Mg6_6—O5_6—C8_6	170.9 (4)
O3_2—Mg2_2—O5_2—C9_2	−168.4 (4)	O3_6—Mg6_6—O5_6—C8_6	−6.0 (6)
O4_2—Mg2_2—O5_2—C9_2	−177.5 (4)	O1_6—Mg6_6—O5_6—C8_6	−179.1 (5)
O1_2—Mg2_2—O5_2—C9_2	2.1 (4)	O4_6—Mg6_6—O5_6—C8_6	2.8 (4)
C10_2—O1_2—C1_2—C2_2	174.2 (5)	C10_6—O1_6—C1_6—C2_6	−175.1 (5)
Mg2_2—O1_2—C1_2—C2_2	47.0 (5)	Mg6_6—O1_6—C1_6—C2_6	−42.2 (6)
C3_2—O2_2—C2_2—C1_2	−175.9 (5)	C3_6—O2_6—C2_6—C1_6	177.4 (6)
Mg2_2—O2_2—C2_2—C1_2	42.1 (6)	Mg6_6—O2_6—C2_6—C1_6	−40.9 (6)
O1_2—C1_2—C2_2—O2_2	−55.8 (6)	O1_6—C1_6—C2_6—O2_6	52.1 (7)
C2_2—O2_2—C3_2—C4_2	176.4 (5)	C2_6—O2_6—C3_6—C4_6	−175.6 (5)
Mg2_2—O2_2—C3_2—C4_2	−41.0 (6)	Mg6_6—O2_6—C3_6—C4_6	43.1 (6)
C5_2—O3_2—C4_2—C3_2	−178.8 (5)	C5_6—O3_6—C4_6—C3_6	177.8 (5)
Mg2_2—O3_2—C4_2—C3_2	−41.0 (5)	Mg6_6—O3_6—C4_6—C3_6	42.0 (5)
O2_2—C3_2—C4_2—O3_2	50.9 (6)	O2_6—C3_6—C4_6—O3_6	−52.7 (6)
C4_2—O3_2—C5_2—C6_2	−176.7 (5)	C4_6—O3_6—C5_6—C6_6	179.9 (5)
Mg2_2—O3_2—C5_2—C6_2	44.6 (6)	Mg6_6—O3_6—C5_6—C6_6	−44.6 (6)
C7_2—O4_2—C6_2—C5_2	174.1 (5)	C7_6—O4_6—C6_6—C5_6	−172.3 (5)
Mg2_2—O4_2—C6_2—C5_2	42.4 (6)	Mg6_6—O4_6—C6_6—C5_6	−39.7 (6)
O3_2—C5_2—C6_2—O4_2	−55.5 (7)	O3_6—C5_6—C6_6—O4_6	53.4 (7)
C6_2—O4_2—C7_2—C8_2	−179.1 (5)	C6_6—O4_6—C7_6—C8_6	−179.1 (5)
Mg2_2—O4_2—C7_2—C8_2	−46.5 (6)	Mg6_6—O4_6—C7_6—C8_6	47.4 (6)
C9_2—O5_2—C8_2—C7_2	153.8 (5)	C9_6—O5_6—C8_6—C7_6	−153.3 (5)
Mg2_2—O5_2—C8_2—C7_2	−23.5 (7)	Mg6_6—O5_6—C8_6—C7_6	21.0 (7)
O4_2—C7_2—C8_2—O5_2	43.9 (7)	O4_6—C7_6—C8_6—O5_6	−42.7 (7)
C8_2—O5_2—C9_2—C10_2	153.7 (5)	C8_6—O5_6—C9_6—C10_6	−155.2 (5)
Mg2_2—O5_2—C9_2—C10_2	−29.0 (6)	Mg6_6—O5_6—C9_6—C10_6	30.4 (6)
C1_2—O1_2—C10_2—C9_2	−177.5 (5)	C1_6—O1_6—C10_6—C9_6	179.5 (5)
Mg2_2—O1_2—C10_2—C9_2	−50.0 (5)	Mg6_6—O1_6—C10_6—C9_6	45.5 (5)
O5_2—C9_2—C10_2—O1_2	49.0 (6)	O5_6—C9_6—C10_6—O1_6	−46.9 (6)
Mg9_9—O6_3—Mg3_3—O7_3	−17 (7)	Mg10_10—O6_7—Mg7_7—O7_7	−32 (8)
Mg9_9—O6_3—Mg3_3—O5_3	−8.2 (17)	Mg10_10—O6_7—Mg7_7—O5_7	−1 (2)
Mg9_9—O6_3—Mg3_3—O2_3	135.8 (18)	Mg10_10—O6_7—Mg7_7—O2_7	−145 (2)
Mg9_9—O6_3—Mg3_3—O3_3	−152.2 (18)	Mg10_10—O6_7—Mg7_7—O3_7	143 (2)
Mg9_9—O6_3—Mg3_3—O1_3	63.4 (17)	Mg10_10—O6_7—Mg7_7—O4_7	70 (2)
Mg9_9—O6_3—Mg3_3—O4_3	−79.1 (17)	Mg10_10—O6_7—Mg7_7—O1_7	−73 (2)
Mg9_9—O7_3—Mg3_3—O6_3	17 (7)	Mg10_10—O7_7—Mg7_7—O6_7	33 (8)
Mg9_9—O7_3—Mg3_3—O5_3	8.6 (16)	Mg10_10—O7_7—Mg7_7—O5_7	2 (2)
Mg9_9—O7_3—Mg3_3—O2_3	−135.5 (18)	Mg10_10—O7_7—Mg7_7—O2_7	146 (2)
Mg9_9—O7_3—Mg3_3—O3_3	152.5 (18)	Mg10_10—O7_7—Mg7_7—O3_7	−142 (2)
Mg9_9—O7_3—Mg3_3—O1_3	−63.0 (17)	Mg10_10—O7_7—Mg7_7—O4_7	−69 (2)
Mg9_9—O7_3—Mg3_3—O4_3	79.6 (17)	Mg10_10—O7_7—Mg7_7—O1_7	73 (2)
O6_3—Mg3_3—O1_3—C1_3	115.2 (4)	O6_7—Mg7_7—O1_7—C1_7	−114.6 (4)
O7_3—Mg3_3—O1_3—C1_3	−67.0 (4)	O7_7—Mg7_7—O1_7—C1_7	66.7 (4)
O5_3—Mg3_3—O1_3—C1_3	−155.2 (4)	O5_7—Mg7_7—O1_7—C1_7	155.2 (4)
O2_3—Mg3_3—O1_3—C1_3	16.9 (4)	O2_7—Mg7_7—O1_7—C1_7	−18.3 (4)
O3_3—Mg3_3—O1_3—C1_3	30.2 (6)	O3_7—Mg7_7—O1_7—C1_7	−34.3 (6)
O4_3—Mg3_3—O1_3—C1_3	−153.3 (5)	O4_7—Mg7_7—O1_7—C1_7	157.8 (5)
O6_3—Mg3_3—O1_3—C10_3	−112.1 (4)	O6_7—Mg7_7—O1_7—C10_7	116.1 (4)
O7_3—Mg3_3—O1_3—C10_3	65.7 (4)	O7_7—Mg7_7—O1_7—C10_7	−62.7 (4)
O5_3—Mg3_3—O1_3—C10_3	−22.5 (4)	O5_7—Mg7_7—O1_7—C10_7	25.9 (4)
O2_3—Mg3_3—O1_3—C10_3	149.6 (4)	O2_7—Mg7_7—O1_7—C10_7	−147.6 (4)
O3_3—Mg3_3—O1_3—C10_3	163.0 (5)	O3_7—Mg7_7—O1_7—C10_7	−163.6 (5)
O4_3—Mg3_3—O1_3—C10_3	−20.6 (6)	O4_7—Mg7_7—O1_7—C10_7	28.4 (6)
O6_3—Mg3_3—O2_3—C2_3	−70.9 (5)	O6_7—Mg7_7—O2_7—C2_7	70.6 (5)
O7_3—Mg3_3—O2_3—C2_3	108.1 (5)	O7_7—Mg7_7—O2_7—C2_7	−107.6 (5)
O5_3—Mg3_3—O2_3—C2_3	28.7 (7)	O5_7—Mg7_7—O2_7—C2_7	−25.0 (7)
O3_3—Mg3_3—O2_3—C2_3	−155.8 (5)	O3_7—Mg7_7—O2_7—C2_7	155.6 (5)
O1_3—Mg3_3—O2_3—C2_3	16.1 (5)	O4_7—Mg7_7—O2_7—C2_7	169.5 (5)
O4_3—Mg3_3—O2_3—C2_3	−174.1 (5)	O1_7—Mg7_7—O2_7—C2_7	−14.7 (5)
O6_3—Mg3_3—O2_3—C3_3	68.6 (5)	O6_7—Mg7_7—O2_7—C3_7	−70.1 (4)
O7_3—Mg3_3—O2_3—C3_3	−112.4 (5)	O7_7—Mg7_7—O2_7—C3_7	111.7 (4)
O5_3—Mg3_3—O2_3—C3_3	168.2 (5)	O5_7—Mg7_7—O2_7—C3_7	−165.7 (4)
O3_3—Mg3_3—O2_3—C3_3	−16.3 (4)	O3_7—Mg7_7—O2_7—C3_7	14.9 (4)
O1_3—Mg3_3—O2_3—C3_3	155.6 (5)	O4_7—Mg7_7—O2_7—C3_7	28.8 (6)
O4_3—Mg3_3—O2_3—C3_3	−34.6 (6)	O1_7—Mg7_7—O2_7—C3_7	−155.4 (5)
O6_3—Mg3_3—O3_3—C5_3	110.5 (5)	O6_7—Mg7_7—O3_7—C5_7	−106.9 (5)
O7_3—Mg3_3—O3_3—C5_3	−68.0 (5)	O7_7—Mg7_7—O3_7—C5_7	73.0 (5)
O5_3—Mg3_3—O3_3—C5_3	24.9 (7)	O5_7—Mg7_7—O3_7—C5_7	−22.7 (7)
O2_3—Mg3_3—O3_3—C5_3	−150.6 (5)	O2_7—Mg7_7—O3_7—C5_7	156.7 (5)
O1_3—Mg3_3—O3_3—C5_3	−163.9 (5)	O4_7—Mg7_7—O3_7—C5_7	−15.0 (5)
O4_3—Mg3_3—O3_3—C5_3	18.3 (5)	O1_7—Mg7_7—O3_7—C5_7	172.7 (5)
O6_3—Mg3_3—O3_3—C4_3	−113.0 (4)	O6_7—Mg7_7—O3_7—C4_7	113.5 (4)
O7_3—Mg3_3—O3_3—C4_3	68.5 (4)	O7_7—Mg7_7—O3_7—C4_7	−66.7 (4)
O5_3—Mg3_3—O3_3—C4_3	161.3 (4)	O5_7—Mg7_7—O3_7—C4_7	−162.4 (5)
O2_3—Mg3_3—O3_3—C4_3	−14.1 (4)	O2_7—Mg7_7—O3_7—C4_7	17.1 (4)
O1_3—Mg3_3—O3_3—C4_3	−27.5 (6)	O4_7—Mg7_7—O3_7—C4_7	−154.6 (5)
O4_3—Mg3_3—O3_3—C4_3	154.8 (4)	O1_7—Mg7_7—O3_7—C4_7	33.1 (6)
O6_3—Mg3_3—O4_3—C7_3	59.4 (4)	O6_7—Mg7_7—O4_7—C7_7	−61.4 (4)
O7_3—Mg3_3—O4_3—C7_3	−118.7 (4)	O7_7—Mg7_7—O4_7—C7_7	116.6 (4)
O5_3—Mg3_3—O4_3—C7_3	−29.6 (4)	O5_7—Mg7_7—O4_7—C7_7	27.4 (4)
O2_3—Mg3_3—O4_3—C7_3	164.5 (4)	O2_7—Mg7_7—O4_7—C7_7	−161.6 (5)
O3_3—Mg3_3—O4_3—C7_3	146.3 (4)	O3_7—Mg7_7—O4_7—C7_7	−147.8 (5)
O1_3—Mg3_3—O4_3—C7_3	−31.5 (6)	O1_7—Mg7_7—O4_7—C7_7	24.9 (6)
O6_3—Mg3_3—O4_3—C6_3	−74.0 (5)	O6_7—Mg7_7—O4_7—C6_7	69.7 (5)
O7_3—Mg3_3—O4_3—C6_3	108.0 (5)	O7_7—Mg7_7—O4_7—C6_7	−112.2 (5)
O5_3—Mg3_3—O4_3—C6_3	−162.9 (5)	O5_7—Mg7_7—O4_7—C6_7	158.5 (5)
O2_3—Mg3_3—O4_3—C6_3	31.2 (7)	O2_7—Mg7_7—O4_7—C6_7	−30.5 (7)
O3_3—Mg3_3—O4_3—C6_3	13.0 (5)	O3_7—Mg7_7—O4_7—C6_7	−16.6 (5)
O1_3—Mg3_3—O4_3—C6_3	−164.8 (5)	O1_7—Mg7_7—O4_7—C6_7	156.0 (5)
O6_3—Mg3_3—O5_3—C9_3	81.8 (5)	O6_7—Mg7_7—O5_7—C8_7	89.4 (5)
O7_3—Mg3_3—O5_3—C9_3	−98.5 (5)	O7_7—Mg7_7—O5_7—C8_7	−91.6 (5)
O2_3—Mg3_3—O5_3—C9_3	−20.5 (7)	O2_7—Mg7_7—O5_7—C8_7	−173.0 (5)
O3_3—Mg3_3—O5_3—C9_3	166.8 (5)	O3_7—Mg7_7—O5_7—C8_7	6.1 (7)
O1_3—Mg3_3—O5_3—C9_3	−7.8 (5)	O4_7—Mg7_7—O5_7—C8_7	−1.8 (5)
O4_3—Mg3_3—O5_3—C9_3	173.4 (5)	O1_7—Mg7_7—O5_7—C8_7	176.6 (5)
O6_3—Mg3_3—O5_3—C8_3	−86.3 (5)	O6_7—Mg7_7—O5_7—C9_7	−82.8 (5)
O7_3—Mg3_3—O5_3—C8_3	93.3 (5)	O7_7—Mg7_7—O5_7—C9_7	96.2 (5)
O2_3—Mg3_3—O5_3—C8_3	171.4 (5)	O2_7—Mg7_7—O5_7—C9_7	14.7 (7)
O3_3—Mg3_3—O5_3—C8_3	−1.3 (7)	O3_7—Mg7_7—O5_7—C9_7	−166.2 (5)
O1_3—Mg3_3—O5_3—C8_3	−175.9 (5)	O4_7—Mg7_7—O5_7—C9_7	−174.0 (5)
O4_3—Mg3_3—O5_3—C8_3	5.3 (5)	O1_7—Mg7_7—O5_7—C9_7	4.3 (4)
C10_3—O1_3—C1_3—C2_3	−175.8 (6)	C10_7—O1_7—C1_7—C2_7	174.8 (6)
Mg3_3—O1_3—C1_3—C2_3	−43.2 (6)	Mg7_7—O1_7—C1_7—C2_7	45.3 (6)
C3_3—O2_3—C2_3—C1_3	176.5 (6)	C3_7—O2_7—C2_7—C1_7	−176.9 (6)
Mg3_3—O2_3—C2_3—C1_3	−42.7 (7)	Mg7_7—O2_7—C2_7—C1_7	41.9 (7)
O1_3—C1_3—C2_3—O2_3	53.8 (8)	O1_7—C1_7—C2_7—O2_7	−54.9 (7)
C2_3—O2_3—C3_3—C4_3	−177.9 (6)	C2_7—O2_7—C3_7—C4_7	177.1 (6)
Mg3_3—O2_3—C3_3—C4_3	41.5 (7)	Mg7_7—O2_7—C3_7—C4_7	−41.2 (7)
C5_3—O3_3—C4_3—C3_3	176.5 (6)	C5_7—O3_7—C4_7—C3_7	176.6 (6)
Mg3_3—O3_3—C4_3—C3_3	40.1 (6)	Mg7_7—O3_7—C4_7—C3_7	−43.3 (6)
O2_3—C3_3—C4_3—O3_3	−50.3 (7)	O2_7—C3_7—C4_7—O3_7	52.4 (7)
C4_3—O3_3—C5_3—C6_3	178.2 (6)	C4_7—O3_7—C5_7—C6_7	−178.2 (6)
Mg3_3—O3_3—C5_3—C6_3	−44.9 (7)	Mg7_7—O3_7—C5_7—C6_7	42.0 (7)
C7_3—O4_3—C6_3—C5_3	−172.1 (6)	C7_7—O4_7—C6_7—C5_7	172.7 (6)
Mg3_3—O4_3—C6_3—C5_3	−39.8 (7)	Mg7_7—O4_7—C6_7—C5_7	42.2 (7)
O3_3—C5_3—C6_3—O4_3	54.2 (8)	O3_7—C5_7—C6_7—O4_7	−53.3 (8)
C6_3—O4_3—C7_3—C8_3	−179.9 (6)	C6_7—O4_7—C7_7—C8_7	−178.1 (6)
Mg3_3—O4_3—C7_3—C8_3	47.6 (7)	Mg7_7—O4_7—C7_7—C8_7	−47.2 (7)
C9_3—O5_3—C8_3—C7_3	−150.8 (6)	C9_7—O5_7—C8_7—C7_7	150.7 (6)
Mg3_3—O5_3—C8_3—C7_3	17.9 (8)	Mg7_7—O5_7—C8_7—C7_7	−21.9 (8)
O4_3—C7_3—C8_3—O5_3	−40.9 (8)	O4_7—C7_7—C8_7—O5_7	43.1 (8)
C8_3—O5_3—C9_3—C10_3	−157.2 (6)	C8_7—O5_7—C9_7—C10_7	155.8 (6)
Mg3_3—O5_3—C9_3—C10_3	33.9 (7)	Mg7_7—O5_7—C9_7—C10_7	−31.5 (7)
C1_3—O1_3—C10_3—C9_3	178.9 (5)	C1_7—O1_7—C10_7—C9_7	−178.1 (5)
Mg3_3—O1_3—C10_3—C9_3	46.0 (6)	Mg7_7—O1_7—C10_7—C9_7	−48.8 (6)
O5_3—C9_3—C10_3—O1_3	−49.1 (7)	O5_7—C9_7—C10_7—O1_7	49.4 (7)
Mg3_3—O7_3—Mg9_9—O5_9	8.9 (17)	Mg7_7—O7_7—Mg10_10—O6_7	−9 (2)
Mg3_3—O7_3—Mg9_9—O6_3	−4.5 (19)	Mg7_7—O7_7—Mg10_10—O5_10	2 (2)
Mg3_3—O7_3—Mg9_9—O2_9	−135.0 (17)	Mg7_7—O7_7—Mg10_10—O2_10	145 (2)
Mg3_3—O7_3—Mg9_9—O3_9	152.9 (17)	Mg7_7—O7_7—Mg10_10—O3_10	−143 (2)
Mg3_3—O7_3—Mg9_9—O1_9	−63.5 (17)	Mg7_7—O7_7—Mg10_10—O4_10	−70 (2)
Mg3_3—O7_3—Mg9_9—O4_9	80.5 (17)	Mg7_7—O7_7—Mg10_10—O1_10	73 (2)
Mg3_3—O6_3—Mg9_9—O7_3	5 (2)	Mg7_7—O6_7—Mg10_10—O7_7	9 (2)
Mg3_3—O6_3—Mg9_9—O5_9	−8.5 (17)	Mg7_7—O6_7—Mg10_10—O5_10	−1 (2)
Mg3_3—O6_3—Mg9_9—O2_9	135.9 (17)	Mg7_7—O6_7—Mg10_10—O2_10	−145 (2)
Mg3_3—O6_3—Mg9_9—O3_9	−152.3 (17)	Mg7_7—O6_7—Mg10_10—O3_10	143 (2)
Mg3_3—O6_3—Mg9_9—O1_9	63.7 (17)	Mg7_7—O6_7—Mg10_10—O4_10	71 (2)
Mg3_3—O6_3—Mg9_9—O4_9	−80.3 (17)	Mg7_7—O6_7—Mg10_10—O1_10	−72 (2)
O7_3—Mg9_9—O1_9—C1_9	−117.7 (2)	O7_7—Mg10_10—O1_10—C10_10	−111.6 (2)
O5_9—Mg9_9—O1_9—C1_9	156.1	O6_7—Mg10_10—O1_10—C10_10	61.6 (2)
O6_3—Mg9_9—O1_9—C1_9	69.0 (2)	O5_10—Mg10_10—O1_10—C10_10	−25.2
O2_9—Mg9_9—O1_9—C1_9	−18.2	O2_10—Mg10_10—O1_10—C10_10	148.8
O3_9—Mg9_9—O1_9—C1_9	−32.6	O3_10—Mg10_10—O1_10—C10_10	163.5
O4_9—Mg9_9—O1_9—C1_9	155.6	O4_10—Mg10_10—O1_10—C10_10	−23.4
O7_3—Mg9_9—O1_9—C10_9	112.3 (2)	O7_7—Mg10_10—O1_10—C1_10	116.9 (2)
O5_9—Mg9_9—O1_9—C10_9	26.1	O6_7—Mg10_10—O1_10—C1_10	−69.9 (2)
O6_3—Mg9_9—O1_9—C10_9	−61.1 (2)	O5_10—Mg10_10—O1_10—C1_10	−156.7
O2_9—Mg9_9—O1_9—C10_9	−148.3	O2_10—Mg10_10—O1_10—C1_10	17.3
O3_9—Mg9_9—O1_9—C10_9	−162.6	O3_10—Mg10_10—O1_10—C1_10	32.0
O4_9—Mg9_9—O1_9—C10_9	25.6	O4_10—Mg10_10—O1_10—C1_10	−154.9
O7_3—Mg9_9—O2_9—C3_9	−71.3 (2)	O7_7—Mg10_10—O2_10—C2_10	−71.4 (2)
O5_9—Mg9_9—O2_9—C3_9	−164.4	O6_7—Mg10_10—O2_10—C2_10	105.5 (2)
O6_3—Mg9_9—O2_9—C3_9	114.6 (2)	O5_10—Mg10_10—O2_10—C2_10	24.5
O3_9—Mg9_9—O2_9—C3_9	16.0	O3_10—Mg10_10—O2_10—C2_10	−156.2
O1_9—Mg9_9—O2_9—C3_9	−155.1	O4_10—Mg10_10—O2_10—C2_10	−173.1
O4_9—Mg9_9—O2_9—C3_9	31.0	O1_10—Mg10_10—O2_10—C2_10	14.9
O7_3—Mg9_9—O2_9—C2_9	71.2 (2)	O7_7—Mg10_10—O2_10—C3_10	68.3 (2)
O5_9—Mg9_9—O2_9—C2_9	−21.9	O6_7—Mg10_10—O2_10—C3_10	−114.7 (2)
O6_3—Mg9_9—O2_9—C2_9	−102.9 (2)	O5_10—Mg10_10—O2_10—C3_10	164.2
O3_9—Mg9_9—O2_9—C2_9	158.4	O3_10—Mg10_10—O2_10—C3_10	−16.4
O1_9—Mg9_9—O2_9—C2_9	−12.7	O4_10—Mg10_10—O2_10—C3_10	−33.4
O4_9—Mg9_9—O2_9—C2_9	173.4	O1_10—Mg10_10—O2_10—C3_10	154.7
O7_3—Mg9_9—O3_9—C5_9	−110.1 (2)	O7_7—Mg10_10—O3_10—C4_10	−115.5 (2)
O5_9—Mg9_9—O3_9—C5_9	−28.1	O6_7—Mg10_10—O3_10—C4_10	69.5 (2)
O6_3—Mg9_9—O3_9—C5_9	66.9 (2)	O5_10—Mg10_10—O3_10—C4_10	163.9
O2_9—Mg9_9—O3_9—C5_9	151.6	O2_10—Mg10_10—O3_10—C4_10	−15.4
O1_9—Mg9_9—O3_9—C5_9	165.9	O4_10—Mg10_10—O3_10—C4_10	154.3
O4_9—Mg9_9—O3_9—C5_9	−19.2	O1_10—Mg10_10—O3_10—C4_10	−30.1
O7_3—Mg9_9—O3_9—C4_9	114.2 (2)	O7_7—Mg10_10—O3_10—C5_10	109.4 (2)
O5_9—Mg9_9—O3_9—C4_9	−163.8	O6_7—Mg10_10—O3_10—C5_10	−65.7 (2)
O6_3—Mg9_9—O3_9—C4_9	−68.7 (2)	O5_10—Mg10_10—O3_10—C5_10	28.8
O2_9—Mg9_9—O3_9—C4_9	15.9	O2_10—Mg10_10—O3_10—C5_10	−150.6
O1_9—Mg9_9—O3_9—C4_9	30.2	O4_10—Mg10_10—O3_10—C5_10	19.1
O4_9—Mg9_9—O3_9—C4_9	−154.9	O1_10—Mg10_10—O3_10—C5_10	−165.3
O7_3—Mg9_9—O4_9—C6_9	76.1 (2)	O7_7—Mg10_10—O4_10—C7_10	57.3 (2)
O5_9—Mg9_9—O4_9—C6_9	161.0	O6_7—Mg10_10—O4_10—C7_10	−116.7 (2)
O6_3—Mg9_9—O4_9—C6_9	−111.6 (2)	O5_10—Mg10_10—O4_10—C7_10	−29.0
O2_9—Mg9_9—O4_9—C6_9	−28.4	O2_10—Mg10_10—O4_10—C7_10	161.9
O3_9—Mg9_9—O4_9—C6_9	−13.4	O3_10—Mg10_10—O4_10—C7_10	145.0
O1_9—Mg9_9—O4_9—C6_9	161.5	O1_10—Mg10_10—O4_10—C7_10	−30.8
O7_3—Mg9_9—O4_9—C7_9	−59.1 (2)	O7_7—Mg10_10—O4_10—C6_10	−74.1 (2)
O5_9—Mg9_9—O4_9—C7_9	25.8	O6_7—Mg10_10—O4_10—C6_10	111.9 (2)
O6_3—Mg9_9—O4_9—C7_9	113.2 (2)	O5_10—Mg10_10—O4_10—C6_10	−160.4
O2_9—Mg9_9—O4_9—C7_9	−163.6	O2_10—Mg10_10—O4_10—C6_10	30.5
O3_9—Mg9_9—O4_9—C7_9	−148.6	O3_10—Mg10_10—O4_10—C6_10	13.6
O1_9—Mg9_9—O4_9—C7_9	26.2	O1_10—Mg10_10—O4_10—C6_10	−162.2
O7_3—Mg9_9—O5_9—C9_9	−84.7 (2)	O7_7—Mg10_10—O5_10—C9_10	87.3 (2)
O6_3—Mg9_9—O5_9—C9_9	93.5 (2)	O6_7—Mg10_10—O5_10—C9_10	−93.9 (2)
O2_9—Mg9_9—O5_9—C9_9	12.4	O2_10—Mg10_10—O5_10—C9_10	−12.7
O3_9—Mg9_9—O5_9—C9_9	−168.1	O3_10—Mg10_10—O5_10—C9_10	168.4
O1_9—Mg9_9—O5_9—C9_9	3.2	O4_10—Mg10_10—O5_10—C9_10	178.1
O4_9—Mg9_9—O5_9—C9_9	−177.1	O1_10—Mg10_10—O5_10—C9_10	−3.1
O7_3—Mg9_9—O5_9—C8_9	91.5 (2)	O7_7—Mg10_10—O5_10—C8_10	−87.9 (2)
O6_3—Mg9_9—O5_9—C8_9	−90.3 (2)	O6_7—Mg10_10—O5_10—C8_10	90.9 (2)
O2_9—Mg9_9—O5_9—C8_9	−171.4	O2_10—Mg10_10—O5_10—C8_10	172.1
O3_9—Mg9_9—O5_9—C8_9	8.0	O3_10—Mg10_10—O5_10—C8_10	−6.8
O1_9—Mg9_9—O5_9—C8_9	179.3	O4_10—Mg10_10—O5_10—C8_10	2.9
O4_9—Mg9_9—O5_9—C8_9	−0.9	O1_10—Mg10_10—O5_10—C8_10	−178.2
C10_9—O1_9—C1_9—C2_9	174.8	C10_10—O1_10—C1_10—C2_10	−173.8
Mg9_9—O1_9—C1_9—C2_9	44.9	Mg10_10—O1_10—C1_10—C2_10	−43.4
C3_9—O2_9—C2_9—C1_9	−178.0	C3_10—O2_10—C2_10—C1_10	177.0
Mg9_9—O2_9—C2_9—C1_9	39.6	Mg10_10—O2_10—C2_10—C1_10	−41.9
O1_9—C1_9—C2_9—O2_9	−52.9	O1_10—C1_10—C2_10—O2_10	53.4
C2_9—O2_9—C3_9—C4_9	174.7	C2_10—O2_10—C3_10—C4_10	−175.7
Mg9_9—O2_9—C3_9—C4_9	−42.7	Mg10_10—O2_10—C3_10—C4_10	42.7
C5_9—O3_9—C4_9—C3_9	−178.9	C5_10—O3_10—C4_10—C3_10	176.4
Mg9_9—O3_9—C4_9—C3_9	−42.7	Mg10_10—O3_10—C4_10—C3_10	41.5
O2_9—C3_9—C4_9—O3_9	53.1	O2_10—C3_10—C4_10—O3_10	−52.0
C4_9—O3_9—C5_9—C6_9	−178.8	C4_10—O3_10—C5_10—C6_10	177.5
Mg9_9—O3_9—C5_9—C6_9	45.2	Mg10_10—O3_10—C5_10—C6_10	−46.9
C7_9—O4_9—C6_9—C5_9	172.9	C7_10—O4_10—C6_10—C5_10	−173.9
Mg9_9—O4_9—C6_9—C5_9	39.8	Mg10_10—O4_10—C6_10—C5_10	−42.5
O3_9—C5_9—C6_9—O4_9	−54.0	O3_10—C5_10—C6_10—O4_10	56.5
C6_9—O4_9—C7_9—C8_9	178.7	C6_10—O4_10—C7_10—C8_10	179.4
Mg9_9—O4_9—C7_9—C8_9	−46.8	Mg10_10—O4_10—C7_10—C8_10	47.8
C9_9—O5_9—C8_9—C7_9	153.0	C9_10—O5_10—C8_10—C7_10	−154.9
Mg9_9—O5_9—C8_9—C7_9	−23.3	Mg10_10—O5_10—C8_10—C7_10	20.5
O4_9—C7_9—C8_9—O5_9	43.9	O4_10—C7_10—C8_10—O5_10	−42.4
C8_9—O5_9—C9_9—C10_9	153.8	C8_10—O5_10—C9_10—C10_10	−156.3
Mg9_9—O5_9—C9_9—C10_9	−29.8	Mg10_10—O5_10—C9_10—C10_10	28.2
C1_9—O1_9—C10_9—C9_9	−178.9	C1_10—O1_10—C10_10—C9_10	178.1
Mg9_9—O1_9—C10_9—C9_9	−48.3	Mg10_10—O1_10—C10_10—C9_10	47.5
O5_9—C9_9—C10_9—O1_9	48.3	O5_10—C9_10—C10_10—O1_10	−47.0
O7_4—Mg4_4—O1_4—C10_4	64.8 (4)	O6_8—Mg8_8—O1_8—C10_8	116.5 (4)
O6_4—Mg4_4—O1_4—C10_4	−113.4 (4)	O7_8—Mg8_8—O1_8—C10_8	−62.2 (4)
O5_4—Mg4_4—O1_4—C10_4	−23.8 (4)	O5_8—Mg8_8—O1_8—C10_8	27.5 (3)
O2_4—Mg4_4—O1_4—C10_4	149.9 (4)	O2_8—Mg8_8—O1_8—C10_8	−146.8 (4)
O3_4—Mg4_4—O1_4—C10_4	164.2 (4)	O3_8—Mg8_8—O1_8—C10_8	−162.9 (4)
O4_4—Mg4_4—O1_4—C10_4	−22.6 (5)	O4_8—Mg8_8—O1_8—C10_8	28.0 (5)
O7_4—Mg4_4—O1_4—C1_4	−68.1 (4)	O6_8—Mg8_8—O1_8—C1_8	−115.7 (4)
O6_4—Mg4_4—O1_4—C1_4	113.7 (4)	O7_8—Mg8_8—O1_8—C1_8	65.6 (4)
O5_4—Mg4_4—O1_4—C1_4	−156.7 (4)	O5_8—Mg8_8—O1_8—C1_8	155.3 (4)
O2_4—Mg4_4—O1_4—C1_4	17.0 (4)	O2_8—Mg8_8—O1_8—C1_8	−19.0 (3)
O3_4—Mg4_4—O1_4—C1_4	31.3 (5)	O3_8—Mg8_8—O1_8—C1_8	−35.1 (5)
O4_4—Mg4_4—O1_4—C1_4	−155.4 (4)	O4_8—Mg8_8—O1_8—C1_8	155.8 (4)
O7_4—Mg4_4—O2_4—C2_4	106.5 (4)	O6_8—Mg8_8—O2_8—C2_8	72.6 (4)
O6_4—Mg4_4—O2_4—C2_4	−74.1 (4)	O7_8—Mg8_8—O2_8—C2_8	−105.8 (4)
O5_4—Mg4_4—O2_4—C2_4	24.3 (5)	O5_8—Mg8_8—O2_8—C2_8	−22.2 (6)
O3_4—Mg4_4—O2_4—C2_4	−157.2 (4)	O3_8—Mg8_8—O2_8—C2_8	156.9 (4)
O1_4—Mg4_4—O2_4—C2_4	14.0 (4)	O4_8—Mg8_8—O2_8—C2_8	172.4 (4)
O4_4—Mg4_4—O2_4—C2_4	−173.4 (4)	O1_8—Mg8_8—O2_8—C2_8	−13.1 (4)
O7_4—Mg4_4—O2_4—C3_4	−113.1 (4)	O6_8—Mg8_8—O2_8—C3_8	−69.5 (4)
O6_4—Mg4_4—O2_4—C3_4	66.4 (4)	O7_8—Mg8_8—O2_8—C3_8	112.1 (4)
O5_4—Mg4_4—O2_4—C3_4	164.7 (4)	O5_8—Mg8_8—O2_8—C3_8	−164.3 (4)
O3_4—Mg4_4—O2_4—C3_4	−16.7 (4)	O3_8—Mg8_8—O2_8—C3_8	14.7 (4)
O1_4—Mg4_4—O2_4—C3_4	154.4 (4)	O4_8—Mg8_8—O2_8—C3_8	30.3 (5)
O4_4—Mg4_4—O2_4—C3_4	−33.0 (5)	O1_8—Mg8_8—O2_8—C3_8	−155.2 (4)
O7_4—Mg4_4—O3_4—C5_4	−69.1 (4)	O6_8—Mg8_8—O3_8—C4_8	114.1 (4)
O6_4—Mg4_4—O3_4—C5_4	108.7 (4)	O7_8—Mg8_8—O3_8—C4_8	−66.2 (4)
O5_4—Mg4_4—O3_4—C5_4	25.5 (6)	O5_8—Mg8_8—O3_8—C4_8	−164.0 (4)
O2_4—Mg4_4—O3_4—C5_4	−153.0 (4)	O2_8—Mg8_8—O3_8—C4_8	16.9 (4)
O1_4—Mg4_4—O3_4—C5_4	−167.4 (4)	O4_8—Mg8_8—O3_8—C4_8	−153.8 (4)
O4_4—Mg4_4—O3_4—C5_4	16.8 (4)	O1_8—Mg8_8—O3_8—C4_8	33.1 (5)
O7_4—Mg4_4—O3_4—C4_4	68.0 (4)	O6_8—Mg8_8—O3_8—C5_8	−111.4 (4)
O6_4—Mg4_4—O3_4—C4_4	−114.1 (4)	O7_8—Mg8_8—O3_8—C5_8	68.4 (4)
O5_4—Mg4_4—O3_4—C4_4	162.7 (4)	O5_8—Mg8_8—O3_8—C5_8	−29.4 (6)
O2_4—Mg4_4—O3_4—C4_4	−15.9 (3)	O2_8—Mg8_8—O3_8—C5_8	151.5 (4)
O1_4—Mg4_4—O3_4—C4_4	−30.3 (5)	O4_8—Mg8_8—O3_8—C5_8	−19.2 (4)
O4_4—Mg4_4—O3_4—C4_4	153.9 (4)	O1_8—Mg8_8—O3_8—C5_8	167.6 (4)
O7_4—Mg4_4—O4_4—C6_4	109.6 (4)	O6_8—Mg8_8—O4_8—C7_8	−60.8 (4)
O6_4—Mg4_4—O4_4—C6_4	−71.2 (4)	O7_8—Mg8_8—O4_8—C7_8	117.5 (4)
O5_4—Mg4_4—O4_4—C6_4	−160.7 (5)	O5_8—Mg8_8—O4_8—C7_8	27.2 (4)
O2_4—Mg4_4—O4_4—C6_4	30.1 (6)	O2_8—Mg8_8—O4_8—C7_8	−161.9 (4)
O3_4—Mg4_4—O4_4—C6_4	13.8 (4)	O3_8—Mg8_8—O4_8—C7_8	−146.6 (4)
O1_4—Mg4_4—O4_4—C6_4	−161.9 (4)	O1_8—Mg8_8—O4_8—C7_8	26.7 (5)
O7_4—Mg4_4—O4_4—C7_4	−117.3 (4)	O6_8—Mg8_8—O4_8—C6_8	71.9 (4)
O6_4—Mg4_4—O4_4—C7_4	61.9 (4)	O7_8—Mg8_8—O4_8—C6_8	−109.8 (4)
O5_4—Mg4_4—O4_4—C7_4	−27.6 (4)	O5_8—Mg8_8—O4_8—C6_8	159.9 (4)
O2_4—Mg4_4—O4_4—C7_4	163.2 (4)	O2_8—Mg8_8—O4_8—C6_8	−29.3 (6)
O3_4—Mg4_4—O4_4—C7_4	147.0 (4)	O3_8—Mg8_8—O4_8—C6_8	−13.9 (4)
O1_4—Mg4_4—O4_4—C7_4	−28.8 (5)	O1_8—Mg8_8—O4_8—C6_8	159.4 (4)
O7_4—Mg4_4—O5_4—C9_4	−95.8 (4)	O6_8—Mg8_8—O5_8—C9_8	−86.5 (4)
O6_4—Mg4_4—O5_4—C9_4	85.8 (4)	O7_8—Mg8_8—O5_8—C9_8	92.7 (4)
O2_4—Mg4_4—O5_4—C9_4	−14.8 (6)	O2_8—Mg8_8—O5_8—C9_8	10.8 (5)
O3_4—Mg4_4—O5_4—C9_4	167.6 (4)	O3_8—Mg8_8—O5_8—C9_8	−167.7 (4)
O1_4—Mg4_4—O5_4—C9_4	−4.4 (4)	O4_8—Mg8_8—O5_8—C9_8	−178.1 (4)
O4_4—Mg4_4—O5_4—C9_4	176.4 (4)	O1_8—Mg8_8—O5_8—C9_8	1.6 (4)
O7_4—Mg4_4—O5_4—C8_4	89.7 (4)	O6_8—Mg8_8—O5_8—C8_8	90.3 (4)
O6_4—Mg4_4—O5_4—C8_4	−88.7 (4)	O7_8—Mg8_8—O5_8—C8_8	−90.5 (5)
O2_4—Mg4_4—O5_4—C8_4	170.7 (4)	O2_8—Mg8_8—O5_8—C8_8	−172.4 (4)
O3_4—Mg4_4—O5_4—C8_4	−6.9 (6)	O3_8—Mg8_8—O5_8—C8_8	9.1 (6)
O1_4—Mg4_4—O5_4—C8_4	−178.9 (5)	O4_8—Mg8_8—O5_8—C8_8	−1.3 (4)
O4_4—Mg4_4—O5_4—C8_4	1.9 (4)	O1_8—Mg8_8—O5_8—C8_8	178.4 (5)
C10_4—O1_4—C1_4—C2_4	−175.2 (5)	C10_8—O1_8—C1_8—C2_8	174.0 (5)
Mg4_4—O1_4—C1_4—C2_4	−42.5 (6)	Mg8_8—O1_8—C1_8—C2_8	45.9 (5)
C3_4—O2_4—C2_4—C1_4	179.0 (5)	C3_8—O2_8—C2_8—C1_8	−177.1 (5)
Mg4_4—O2_4—C2_4—C1_4	−40.2 (6)	Mg8_8—O2_8—C2_8—C1_8	40.4 (6)
O1_4—C1_4—C2_4—O2_4	51.9 (7)	O1_8—C1_8—C2_8—O2_8	−53.9 (7)
C2_4—O2_4—C3_4—C4_4	−175.4 (5)	C2_8—O2_8—C3_8—C4_8	175.1 (5)
Mg4_4—O2_4—C3_4—C4_4	43.6 (6)	Mg8_8—O2_8—C3_8—C4_8	−41.6 (6)
C5_4—O3_4—C4_4—C3_4	−178.6 (5)	C5_8—O3_8—C4_8—C3_8	−177.2 (5)
Mg4_4—O3_4—C4_4—C3_4	43.1 (5)	Mg8_8—O3_8—C4_8—C3_8	−43.2 (5)
O2_4—C3_4—C4_4—O3_4	−53.6 (6)	O2_8—C3_8—C4_8—O3_8	52.4 (6)
C4_4—O3_4—C5_4—C6_4	179.9 (5)	C4_8—O3_8—C5_8—C6_8	−177.8 (5)
Mg4_4—O3_4—C5_4—C6_4	−42.3 (6)	Mg8_8—O3_8—C5_8—C6_8	46.9 (6)
C7_4—O4_4—C6_4—C5_4	−172.0 (5)	C7_8—O4_8—C6_8—C5_8	174.8 (5)
Mg4_4—O4_4—C6_4—C5_4	−39.7 (6)	Mg8_8—O4_8—C6_8—C5_8	42.2 (6)
O3_4—C5_4—C6_4—O4_4	51.2 (7)	O3_8—C5_8—C6_8—O4_8	−56.7 (6)
C6_4—O4_4—C7_4—C8_4	−179.0 (5)	C6_8—O4_8—C7_8—C8_8	179.9 (5)
Mg4_4—O4_4—C7_4—C8_4	47.4 (6)	Mg8_8—O4_8—C7_8—C8_8	−47.3 (6)
C9_4—O5_4—C8_4—C7_4	−152.8 (5)	C9_8—O5_8—C8_8—C7_8	154.7 (5)
Mg4_4—O5_4—C8_4—C7_4	22.0 (7)	Mg8_8—O5_8—C8_8—C7_8	−22.2 (7)
O4_4—C7_4—C8_4—O5_4	−43.1 (7)	O4_8—C7_8—C8_8—O5_8	42.7 (7)
C8_4—O5_4—C9_4—C10_4	−155.8 (5)	C8_8—O5_8—C9_8—C10_8	155.2 (5)
Mg4_4—O5_4—C9_4—C10_4	29.3 (6)	Mg8_8—O5_8—C9_8—C10_8	−27.8 (6)
C1_4—O1_4—C10_4—C9_4	178.8 (5)	C1_8—O1_8—C10_8—C9_8	−177.4 (5)
Mg4_4—O1_4—C10_4—C9_4	45.6 (5)	Mg8_8—O1_8—C10_8—C9_8	−49.3 (5)
O5_4—C9_4—C10_4—O1_4	−46.2 (6)	O5_8—C9_8—C10_8—O1_8	47.7 (6)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O6_1—H1W_1···O9_11	0.81 (1)	2.37 (4)	2.996 (6)	135 (5)
O6_1—H1W_1···O8_11	0.81 (1)	2.23 (2)	2.988 (7)	155 (5)
O6_1—H2W_1···O9_21^i	0.81 (1)	1.99 (2)	2.738 (6)	153 (5)
O6_1—H2W_1···O10_21^i	0.81 (1)	2.63 (2)	3.376 (7)	155 (4)
O7_1—H3W_1···O9_14^ii	0.81 (1)	2.07 (2)	2.866 (7)	165 (5)
O7_1—H3W_1···O10_14^ii	0.81 (1)	2.65 (4)	3.167 (7)	123 (4)
O7_1—H4W_1···O8_19	0.81 (1)	2.02 (2)	2.771 (6)	155 (5)
O6_2—H1W_2···O9_13^ii	0.82 (1)	2.09 (2)	2.874 (6)	161 (5)
O6_2—H1W_2···O10_13^ii	0.82 (1)	2.52 (3)	3.204 (7)	142 (4)
O6_2—H2W_2···O8_20	0.82 (1)	2.21 (2)	2.982 (7)	159 (5)
O6_2—H2W_2···O9_20	0.82 (1)	2.36 (3)	3.070 (6)	145 (5)
O7_2—H3W_2···O9_20^i	0.81 (1)	1.96 (1)	2.764 (7)	169 (5)
O7_2—H4W_2···O8_12	0.81 (1)	1.96 (1)	2.764 (6)	174 (5)
O7_2—H4W_2···O9_12	0.81 (1)	2.72 (5)	3.260 (6)	126 (5)
O6_3—H1W_3···O9_19^i	0.82 (1)	1.99 (2)	2.788 (6)	164 (5)
O6_3—H2W_3···O8_13	0.81 (1)	2.07 (2)	2.857 (7)	162 (6)
O6_3—H2W_3···O9_13	0.81 (1)	2.43 (4)	3.083 (6)	138 (5)
O7_3—H3W_3···O9_12^ii	0.81 (1)	2.04 (3)	2.774 (6)	150 (5)
O7_3—H3W_3···O10_12^ii	0.81 (1)	2.58 (3)	3.269 (7)	144 (4)
O7_3—H4W_3···O8_21	0.81 (1)	2.02 (2)	2.804 (6)	161 (6)
O7_3—H4W_3···O9_21	0.81 (1)	2.63 (3)	3.331 (6)	145 (5)
O6_4—H1W_4···O9_26^iii	0.82 (1)	1.96 (2)	2.742 (6)	160 (5)
O6_4—H1W_4···O10_26^iii	0.82 (1)	2.60 (3)	3.290 (7)	144 (5)
O6_4—H2W_4···O8_14	0.82 (1)	2.26 (3)	2.913 (7)	136 (4)
O6_4—H2W_4···O9_14	0.82 (1)	2.25 (3)	2.993 (6)	151 (4)
O7_4—H3W_4···O9_11^ii	0.82 (1)	2.09 (2)	2.889 (7)	168 (5)
O7_4—H3W_4···O10_11^ii	0.82 (1)	2.62 (4)	3.224 (7)	133 (4)
O7_4—H4W_4···O8_22	0.81 (1)	1.99 (1)	2.793 (6)	174 (5)
O6_5—H1W_5···O8_23	0.81 (1)	2.27 (3)	2.950 (7)	142 (5)
O6_5—H1W_5···O9_23	0.81 (1)	2.34 (2)	3.103 (6)	157 (5)
O6_5—H2W_5···O9_18^iv	0.82 (1)	2.00 (2)	2.800 (6)	166 (5)
O7_5—H3W_5···O9_25^iii	0.82 (1)	2.02 (2)	2.800 (7)	160 (5)
O7_5—H3W_5···O10_25^iii	0.82 (1)	2.54 (4)	3.151 (7)	132 (4)
O7_5—H4W_5···O8_15	0.81 (1)	1.95 (1)	2.761 (6)	171 (5)
O7_5—H4W_5···O9_15	0.81 (1)	2.68 (4)	3.250 (6)	129 (5)
O6_6—H1W_6···O8_16	0.82 (1)	2.12 (2)	2.924 (7)	167 (5)
O6_6—H1W_6···O9_16	0.82 (1)	2.40 (4)	3.029 (6)	135 (5)
O6_6—H2W_6···O9_24^iii	0.82 (1)	2.03 (3)	2.769 (6)	150 (5)
O7_6—H3W_6···O8_24	0.82 (1)	1.98 (2)	2.759 (6)	160 (5)
O7_6—H4W_6···O9_17^iv	0.82 (1)	1.99 (2)	2.786 (7)	162 (5)
O7_6—H4W_6···O10_17^iv	0.82 (1)	2.66 (4)	3.231 (7)	128 (4)
O6_7—H1W_7···O9_16^iv	0.82 (1)	2.10 (2)	2.886 (6)	161 (5)
O6_7—H1W_7···O10_16^iv	0.82 (1)	2.60 (3)	3.225 (7)	134 (4)
O6_7—H2W_7···O8_25	0.82 (1)	2.16 (1)	2.967 (6)	172 (5)
O6_7—H2W_7···O9_25	0.82 (1)	2.46 (4)	3.084 (6)	134 (4)
O7_7—H3W_7···O9_23^iii	0.82 (1)	1.99 (2)	2.752 (7)	156 (4)
O7_7—H3W_7···O10_23^iii	0.82 (1)	2.50 (3)	3.192 (7)	143 (5)
O7_7—H4W_7···O8_17	0.82 (1)	2.02 (2)	2.786 (6)	155 (5)
O7_7—H4W_7···O9_17	0.82 (1)	2.51 (4)	3.176 (6)	139 (5)
O6_8—H1W_8···O9_15^iv	0.82 (1)	2.04 (2)	2.807 (6)	156 (5)
O6_8—H2W_8···O8_26	0.82 (1)	2.16 (3)	2.872 (7)	145 (5)
O6_8—H2W_8···O9_26	0.82 (1)	2.43 (2)	3.208 (6)	159 (5)
O7_8—H3W_8···O9_22^iii	0.82 (1)	1.96 (1)	2.771 (7)	170 (5)
O7_8—H4W_8···O8_18	0.81 (1)	1.95 (1)	2.740 (6)	165 (5)
O7_8—H4W_8···O9_18	0.81 (1)	2.71 (4)	3.234 (6)	124 (4)

Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1/2, y+1/2, −z+3/2; (iv) −x+1/2, y−1/2, −z+3/2.

(ZnZprime8) 'diaqua(15-crown-5)zinc(II) nitrate'

Crystal data

C10H24O7Zn^2+·2(NO3^−)	F(000) = 7424
Mr = 445.68	Dx = 1.648 Mg m^−3
Monoclinic, B21	Cu Kα radiation, λ = 1.54178 Å
a = 14.737 (2) Å	Cell parameters from 8519 reflections
b = 14.050 (2) Å	θ = 4.1–68.3°
c = 69.935 (5) Å	µ = 2.56 mm^−1
β = 96.99 (2)°	T = 313 K
V = 14373 (3) Å^3	Block, colorless
Z = 32	0.30 × 0.15 × 0.12 mm

Data collection

Bruker-Nonius X8 Proteum diffractometer	25529 independent reflections
Radiation source: fine-focus rotating anode	12218 reflections with I > 2σ(I)
Graded multi-layer optics monochromator	Rint = 0.046
Detector resolution: 18 pixels mm^-1	θmax = 68.3°, θmin = 1.3°
ω and φ scans	h = −16→17
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004)	k = −16→16
Tmin = 0.514, Tmax = 0.749	l = −83→83
91322 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.055	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.189	w = 1/[σ^2(Fo^2) + (0.050P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.46	(Δ/σ)max = 0.002
25529 reflections	Δρmax = 0.64 e Å^−3
892 parameters	Δρmin = −0.46 e Å^−3
3244 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000049 (3)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
O6_1	0.1808 (4)	0.6748 (4)	0.08070 (7)	0.0602 (3)
H1W_1	0.141 (3)	0.671 (5)	0.0714 (6)	0.090*
H2W_1	0.162 (4)	0.714 (4)	0.0878 (7)	0.090*
O7_1	0.3119 (4)	0.4397 (4)	0.10216 (7)	0.0610 (3)
H3W_1	0.312 (4)	0.388 (2)	0.0970 (8)	0.092*
H4W_1	0.315 (5)	0.431 (4)	0.11376 (19)	0.092*
Zn1_1	0.24537 (6)	0.55483 (8)	0.091118 (11)	0.03835 (10)
O1_1	0.1259 (2)	0.5232 (3)	0.10725 (6)	0.0472 (2)
O2_1	0.1594 (3)	0.4507 (4)	0.07371 (6)	0.0504 (2)
O3_1	0.2969 (3)	0.5458 (4)	0.06248 (5)	0.0521 (3)
O4_1	0.3824 (3)	0.6297 (4)	0.09395 (6)	0.0589 (3)
O5_1	0.2684 (3)	0.6214 (4)	0.11884 (6)	0.0516 (2)
C1_1	0.0779 (5)	0.4367 (6)	0.10060 (10)	0.0642 (4)
H11_1	0.0182	0.4343	0.1051	0.077*
H12_1	0.1124	0.3810	0.1054	0.077*
C2_1	0.0687 (4)	0.4402 (7)	0.07904 (10)	0.0658 (4)
H21_1	0.0409	0.3821	0.0736	0.079*
H22_1	0.0308	0.4936	0.0743	0.079*
C3_1	0.1635 (4)	0.4566 (6)	0.05355 (8)	0.0574 (4)
H31_1	0.1307	0.5122	0.0482	0.069*
H32_1	0.1370	0.4004	0.0471	0.069*
C4_1	0.2639 (4)	0.4641 (5)	0.05129 (9)	0.0547 (4)
H41_1	0.2962	0.4070	0.0561	0.066*
H42_1	0.2723	0.4727	0.0379	0.066*
C5_1	0.3938 (4)	0.5600 (7)	0.06348 (9)	0.0705 (5)
H51_1	0.4114	0.5708	0.0507	0.085*
H52_1	0.4266	0.5049	0.0691	0.085*
C6_1	0.4142 (5)	0.6454 (6)	0.07588 (10)	0.0750 (5)
H61_1	0.4796	0.6571	0.0777	0.090*
H62_1	0.3843	0.7009	0.0697	0.090*
C7_1	0.3847 (5)	0.7089 (6)	0.10665 (10)	0.0682 (4)
H71_1	0.3495	0.7611	0.1004	0.082*
H72_1	0.4472	0.7302	0.1100	0.082*
C8_1	0.3455 (5)	0.6794 (6)	0.12420 (9)	0.0649 (4)
H81_1	0.3908	0.6443	0.1327	0.078*
H82_1	0.3278	0.7351	0.1311	0.078*
C9_1	0.2007 (4)	0.6159 (5)	0.13191 (9)	0.0519 (3)
H91_1	0.1595	0.6699	0.1301	0.062*
H92_1	0.2297	0.6163	0.1451	0.062*
C10_1	0.1500 (4)	0.5269 (6)	0.12782 (8)	0.0554 (4)
H101_1	0.1877	0.4727	0.1322	0.066*
H102_1	0.0954	0.5262	0.1343	0.066*
O6_2	0.3231 (4)	0.4408 (4)	0.23153 (7)	0.0602 (3)
H1W_2	0.339 (4)	0.396 (3)	0.2252 (7)	0.090*
H2W_2	0.312 (4)	0.418 (4)	0.2418 (4)	0.090*
O7_2	0.1885 (4)	0.6699 (4)	0.20965 (7)	0.0610 (3)
H3W_2	0.169 (4)	0.710 (4)	0.2164 (8)	0.092*
H4W_2	0.154 (3)	0.662 (5)	0.1999 (5)	0.092*
Zn2_2	0.25519 (6)	0.55332 (8)	0.220863 (11)	0.03835 (10)
O1_2	0.3785 (3)	0.5850 (3)	0.20454 (6)	0.0472 (2)
O2_2	0.3418 (3)	0.6582 (4)	0.23820 (6)	0.0504 (2)
O3_2	0.2048 (3)	0.5619 (4)	0.24948 (5)	0.0521 (3)
O4_2	0.1193 (3)	0.4763 (4)	0.21803 (6)	0.0589 (3)
O5_2	0.2328 (3)	0.4864 (4)	0.19306 (6)	0.0516 (2)
C1_2	0.4204 (5)	0.6722 (6)	0.21124 (10)	0.0642 (4)
H11_2	0.3825	0.7257	0.2066	0.077*
H12_2	0.4797	0.6789	0.2067	0.077*
C2_2	0.4309 (4)	0.6687 (7)	0.23289 (10)	0.0658 (4)
H21_2	0.4691	0.6154	0.2376	0.079*
H22_2	0.4587	0.7269	0.2383	0.079*
C3_2	0.3353 (4)	0.6547 (6)	0.25841 (8)	0.0574 (4)
H31_2	0.3588	0.7130	0.2646	0.069*
H32_2	0.3701	0.6015	0.2643	0.069*
C4_2	0.2356 (4)	0.6432 (5)	0.26052 (9)	0.0547 (4)
H41_2	0.2274	0.6340	0.2739	0.066*
H42_2	0.2017	0.6992	0.2558	0.066*
C5_2	0.1099 (4)	0.5422 (7)	0.24847 (10)	0.0705 (5)
H51_2	0.0747	0.5954	0.2427	0.085*
H52_2	0.0930	0.5321	0.2613	0.085*
C6_2	0.0910 (5)	0.4552 (7)	0.23660 (10)	0.0750 (5)
H61_2	0.1252	0.4015	0.2425	0.090*
H62_2	0.0264	0.4398	0.2353	0.090*
C7_2	0.1210 (5)	0.3972 (6)	0.20542 (10)	0.0682 (4)
H71_2	0.0601	0.3707	0.2026	0.082*
H72_2	0.1611	0.3481	0.2114	0.082*
C8_2	0.1545 (5)	0.4304 (6)	0.18744 (10)	0.0649 (4)
H81_2	0.1700	0.3766	0.1798	0.078*
H82_2	0.1079	0.4679	0.1799	0.078*
C9_2	0.3000 (4)	0.4898 (6)	0.18046 (9)	0.0519 (3)
H91_2	0.2719	0.4874	0.1672	0.062*
H92_2	0.3415	0.4364	0.1828	0.062*
C10_2	0.3506 (4)	0.5824 (6)	0.18438 (8)	0.0554 (4)
H101_2	0.4033	0.5850	0.1773	0.066*
H102_2	0.3110	0.6359	0.1805	0.066*
O6_3	0.1877 (4)	0.6758 (4)	0.33239 (7)	0.0602 (3)
H1W_3	0.179 (4)	0.720 (3)	0.3395 (7)	0.090*
H2W_3	0.151 (3)	0.678 (5)	0.3228 (5)	0.090*
O7_3	0.3072 (4)	0.4355 (4)	0.35382 (7)	0.0610 (3)
H3W_3	0.333 (4)	0.393 (4)	0.3486 (8)	0.092*
H4W_3	0.321 (4)	0.429 (5)	0.36541 (19)	0.092*
Zn3_3	0.24698 (9)	0.55410 (13)	0.34239 (2)	0.03835 (10)	0.738 (2)
O1_3	0.1233 (3)	0.5277 (4)	0.35800 (6)	0.0472 (2)	0.738 (2)
O2_3	0.1598 (3)	0.4509 (4)	0.32478 (7)	0.0504 (2)	0.738 (2)
O3_3	0.3007 (3)	0.5436 (5)	0.31397 (6)	0.0521 (3)	0.738 (2)
O4_3	0.3870 (4)	0.6236 (4)	0.34621 (7)	0.0589 (3)	0.738 (2)
O5_3	0.2710 (3)	0.6171 (4)	0.37081 (6)	0.0516 (2)	0.738 (2)
C1_3	0.0759 (6)	0.4428 (7)	0.35092 (12)	0.0642 (4)	0.738 (2)
H11_3	0.0155	0.4407	0.3551	0.077*	0.738 (2)
H12_3	0.1095	0.3867	0.3558	0.077*	0.738 (2)
C2_3	0.0685 (5)	0.4459 (8)	0.32938 (11)	0.0658 (4)	0.738 (2)
H21_3	0.0384	0.3891	0.3238	0.079*	0.738 (2)
H22_3	0.0339	0.5012	0.3244	0.079*	0.738 (2)
C3_3	0.1656 (6)	0.4538 (7)	0.30450 (10)	0.0574 (4)	0.738 (2)
H31_3	0.1318	0.5077	0.2986	0.069*	0.738 (2)
H32_3	0.1410	0.3959	0.2983	0.069*	0.738 (2)
C4_3	0.2655 (5)	0.4632 (7)	0.30263 (11)	0.0547 (4)	0.738 (2)
H41_3	0.2977	0.4057	0.3072	0.066*	0.738 (2)
H42_3	0.2742	0.4727	0.2892	0.066*	0.738 (2)
C5_3	0.3968 (5)	0.5548 (8)	0.31549 (12)	0.0705 (5)	0.738 (2)
H51_3	0.4160	0.5649	0.3029	0.085*	0.738 (2)
H52_3	0.4272	0.4985	0.3212	0.085*	0.738 (2)
C6_3	0.4198 (7)	0.6394 (8)	0.32805 (12)	0.0750 (5)	0.738 (2)
H61_3	0.4855	0.6489	0.3299	0.090*	0.738 (2)
H62_3	0.3916	0.6960	0.3220	0.090*	0.738 (2)
C7_3	0.3887 (7)	0.7037 (7)	0.35859 (12)	0.0682 (4)	0.738 (2)
H71_3	0.3528	0.7551	0.3523	0.082*	0.738 (2)
H72_3	0.4510	0.7259	0.3618	0.082*	0.738 (2)
C8_3	0.3504 (6)	0.6745 (8)	0.37610 (12)	0.0649 (4)	0.738 (2)
H81_3	0.3955	0.6385	0.3844	0.078*	0.738 (2)
H82_3	0.3340	0.7302	0.3831	0.078*	0.738 (2)
C9_3	0.2008 (5)	0.6170 (7)	0.38307 (11)	0.0519 (3)	0.738 (2)
H91_3	0.1622	0.6727	0.3807	0.062*	0.738 (2)
H92_3	0.2270	0.6174	0.3965	0.062*	0.738 (2)
C10_3	0.1465 (6)	0.5281 (6)	0.37854 (10)	0.0554 (4)	0.738 (2)
H101_3	0.1824	0.4724	0.3827	0.066*	0.738 (2)
H102_3	0.0917	0.5285	0.3849	0.066*	0.738 (2)
Zn9_9	0.2500 (2)	0.5530 (3)	0.34526 (4)	0.03835 (10)	0.262 (2)
O1_9	0.3727 (3)	0.5796 (5)	0.33017 (7)	0.0472 (2)	0.262 (2)
O2_9	0.3409 (4)	0.6485 (5)	0.36294 (7)	0.0504 (2)	0.262 (2)
O3_9	0.1958 (4)	0.5675 (5)	0.37309 (5)	0.0521 (3)	0.262 (2)
O4_9	0.1122 (3)	0.4841 (5)	0.34257 (8)	0.0589 (3)	0.262 (2)
O5_9	0.2269 (4)	0.4874 (5)	0.31820 (5)	0.0516 (2)	0.262 (2)
C1_9	0.4239 (4)	0.6611 (6)	0.33672 (10)	0.0642 (4)	0.262 (2)
H1A_9	0.3917	0.7180	0.3319	0.077*	0.262 (2)
H1B_9	0.4842	0.6602	0.3322	0.077*	0.262 (2)
C2_9	0.4335 (4)	0.6592 (7)	0.35774 (10)	0.0658 (4)	0.262 (2)
H2A_9	0.4721	0.6065	0.3626	0.079*	0.262 (2)
H2B_9	0.4611	0.7174	0.3630	0.079*	0.262 (2)
C3_9	0.3325 (5)	0.6480 (7)	0.38309 (7)	0.0574 (4)	0.262 (2)
H3A_9	0.3602	0.7043	0.3892	0.069*	0.262 (2)
H3B_9	0.3628	0.5928	0.3892	0.069*	0.262 (2)
C4_9	0.2317 (6)	0.6456 (7)	0.38450 (7)	0.0547 (4)	0.262 (2)
H4A_9	0.2205	0.6373	0.3977	0.066*	0.262 (2)
H4B_9	0.2027	0.7041	0.3797	0.066*	0.262 (2)
C5_9	0.1009 (4)	0.5555 (7)	0.37247 (9)	0.0705 (5)	0.262 (2)
H5A_9	0.0684	0.6107	0.3669	0.085*	0.262 (2)
H5B_9	0.0841	0.5462	0.3853	0.085*	0.262 (2)
C6_9	0.0765 (4)	0.4683 (7)	0.36011 (10)	0.0750 (5)	0.262 (2)
H6A_9	0.1040	0.4121	0.3664	0.090*	0.262 (2)
H6B_9	0.0101	0.4599	0.3579	0.090*	0.262 (2)
C7_9	0.1070 (5)	0.4061 (6)	0.32940 (10)	0.0682 (4)	0.262 (2)
H7A_9	0.0433	0.3865	0.3262	0.082*	0.262 (2)
H7B_9	0.1420	0.3529	0.3352	0.082*	0.262 (2)
C8_9	0.1444 (5)	0.4357 (6)	0.31226 (8)	0.0649 (4)	0.262 (2)
H8A_9	0.1579	0.3811	0.3047	0.078*	0.262 (2)
H8B_9	0.1004	0.4754	0.3045	0.078*	0.262 (2)
C9_9	0.2962 (5)	0.4884 (7)	0.30554 (7)	0.0519 (3)	0.262 (2)
H9A_9	0.2680	0.4873	0.2923	0.062*	0.262 (2)
H9B_9	0.3359	0.4334	0.3078	0.062*	0.262 (2)
C10_9	0.3511 (5)	0.5772 (7)	0.30952 (7)	0.0554 (4)	0.262 (2)
H10A_9	0.4070	0.5754	0.3033	0.066*	0.262 (2)
H10B_9	0.3151	0.6322	0.3050	0.066*	0.262 (2)
O6_4	0.1787 (4)	0.6742 (4)	0.45647 (7)	0.0602 (3)
H1W_4	0.147 (3)	0.702 (4)	0.4635 (7)	0.090*
H2W_4	0.147 (3)	0.668 (5)	0.4461 (4)	0.090*
O7_4	0.3161 (4)	0.4444 (4)	0.47854 (7)	0.0610 (3)
H3W_4	0.324 (5)	0.393 (2)	0.4737 (9)	0.092*
H4W_4	0.339 (4)	0.444 (5)	0.4897 (3)	0.092*
Zn4_4	0.24614 (6)	0.55535 (8)	0.467320 (11)	0.03835 (10)
O1_4	0.1272 (3)	0.5213 (3)	0.48330 (6)	0.0472 (2)
O2_4	0.1620 (3)	0.4479 (4)	0.45026 (6)	0.0504 (2)
O3_4	0.2970 (3)	0.5469 (4)	0.43863 (5)	0.0521 (3)
O4_4	0.3809 (3)	0.6345 (4)	0.46959 (6)	0.0589 (3)
O5_4	0.2684 (3)	0.6222 (4)	0.49484 (6)	0.0516 (2)
C1_4	0.0813 (5)	0.4344 (6)	0.47689 (10)	0.0642 (4)
H11_4	0.0215	0.4312	0.4813	0.077*
H12_4	0.1167	0.3796	0.4819	0.077*
C2_4	0.0724 (4)	0.4360 (7)	0.45529 (10)	0.0658 (4)
H21_4	0.0460	0.3769	0.4500	0.079*
H22_4	0.0335	0.4883	0.4503	0.079*
C3_4	0.1672 (4)	0.4538 (6)	0.43000 (8)	0.0574 (4)
H31_4	0.1329	0.5082	0.4245	0.069*
H32_4	0.1426	0.3966	0.4235	0.069*
C4_4	0.2673 (4)	0.4645 (6)	0.42793 (9)	0.0547 (4)
H41_4	0.3012	0.4089	0.4330	0.066*
H42_4	0.2761	0.4721	0.4145	0.066*
C5_4	0.3919 (4)	0.5679 (7)	0.43900 (10)	0.0705 (5)
H51_4	0.4065	0.5805	0.4261	0.085*
H52_4	0.4287	0.5148	0.4443	0.085*
C6_4	0.4096 (5)	0.6535 (7)	0.45134 (10)	0.0750 (5)
H61_4	0.4743	0.6687	0.4528	0.090*
H62_4	0.3762	0.7075	0.4454	0.090*
C7_4	0.3819 (6)	0.7130 (6)	0.48219 (10)	0.0682 (4)
H71_4	0.3444	0.7639	0.4761	0.082*
H72_4	0.4439	0.7366	0.4852	0.082*
C8_4	0.3458 (5)	0.6825 (6)	0.50014 (10)	0.0649 (4)
H81_4	0.3925	0.6482	0.5084	0.078*
H82_4	0.3278	0.7377	0.5071	0.078*
C9_4	0.1999 (4)	0.6182 (6)	0.50763 (9)	0.0519 (3)
H91_4	0.1581	0.6714	0.5053	0.062*
H92_4	0.2279	0.6207	0.5209	0.062*
C10_4	0.1502 (5)	0.5264 (6)	0.50375 (8)	0.0554 (4)
H101_4	0.1888	0.4732	0.5083	0.066*
H102_4	0.0954	0.5251	0.5102	0.066*
O6_5	0.3207 (4)	0.4381 (4)	0.60671 (7)	0.0602 (3)
H1W_5	0.314 (4)	0.423 (4)	0.6177 (3)	0.090*
H2W_5	0.337 (4)	0.391 (3)	0.6013 (7)	0.090*
O7_5	0.1935 (4)	0.6727 (4)	0.58506 (7)	0.0610 (3)
H3W_5	0.168 (4)	0.709 (4)	0.5917 (8)	0.092*
H4W_5	0.154 (3)	0.653 (4)	0.5768 (6)	0.092*
Zn5_5	0.25629 (5)	0.55471 (8)	0.596288 (10)	0.03835 (10)
O1_5	0.3798 (2)	0.5842 (3)	0.58019 (6)	0.0472 (2)
O2_5	0.3440 (3)	0.6575 (4)	0.61364 (6)	0.0504 (2)
O3_5	0.2043 (3)	0.5642 (4)	0.62472 (5)	0.0521 (3)
O4_5	0.1178 (3)	0.4805 (4)	0.59272 (6)	0.0589 (3)
O5_5	0.2332 (3)	0.4886 (4)	0.56844 (6)	0.0516 (2)
C1_5	0.4252 (5)	0.6692 (6)	0.58707 (10)	0.0642 (4)
H11_5	0.3898	0.7244	0.5823	0.077*
H12_5	0.4848	0.6730	0.5826	0.077*
C2_5	0.4352 (4)	0.6667 (7)	0.60869 (9)	0.0658 (4)
H21_5	0.4725	0.6130	0.6136	0.079*
H22_5	0.4633	0.7248	0.6140	0.079*
C3_5	0.3373 (4)	0.6521 (6)	0.63411 (8)	0.0574 (4)
H31_5	0.3629	0.7087	0.6406	0.069*
H32_5	0.3699	0.5969	0.6397	0.069*
C4_5	0.2371 (4)	0.6442 (6)	0.63597 (9)	0.0547 (4)
H41_5	0.2277	0.6351	0.6493	0.066*
H42_5	0.2052	0.7015	0.6312	0.066*
C5_5	0.1074 (4)	0.5501 (7)	0.62297 (9)	0.0705 (5)
H51_5	0.0760	0.6045	0.6167	0.085*
H52_5	0.0876	0.5424	0.6356	0.085*
C6_5	0.0863 (5)	0.4636 (7)	0.61133 (10)	0.0750 (5)
H61_5	0.1174	0.4090	0.6176	0.090*
H62_5	0.0210	0.4514	0.6098	0.090*
C7_5	0.1173 (5)	0.4022 (6)	0.58040 (10)	0.0682 (4)
H71_5	0.0553	0.3788	0.5772	0.082*
H72_5	0.1543	0.3513	0.5866	0.082*
C8_5	0.1547 (5)	0.4323 (6)	0.56268 (9)	0.0649 (4)
H81_5	0.1710	0.3772	0.5555	0.078*
H82_5	0.1096	0.4691	0.5545	0.078*
C9_5	0.3016 (4)	0.4908 (5)	0.55597 (9)	0.0519 (3)
H91_5	0.2743	0.4878	0.5426	0.062*
H92_5	0.3430	0.4374	0.5585	0.062*
C10_5	0.3519 (4)	0.5834 (6)	0.55991 (8)	0.0554 (4)
H101_5	0.4046	0.5865	0.5529	0.066*
H102_5	0.3122	0.6370	0.5562	0.066*
O6_6	0.1864 (4)	0.6757 (4)	0.70626 (7)	0.0602 (3)
H1W_6	0.152 (3)	0.671 (5)	0.6962 (5)	0.090*
H2W_6	0.157 (4)	0.708 (4)	0.7131 (7)	0.090*
O7_6	0.3093 (4)	0.4361 (4)	0.72773 (7)	0.0610 (3)
H3W_6	0.327 (4)	0.428 (4)	0.7392 (3)	0.092*
H4W_6	0.316 (5)	0.385 (2)	0.7225 (8)	0.092*
Zn6_6	0.24672 (6)	0.55358 (8)	0.716570 (11)	0.03835 (10)
O1_6	0.1246 (3)	0.5251 (4)	0.73216 (6)	0.0472 (2)
O2_6	0.1597 (3)	0.4516 (4)	0.69876 (6)	0.0504 (2)
O3_6	0.3003 (3)	0.5437 (4)	0.68805 (5)	0.0521 (3)
O4_6	0.3860 (3)	0.6243 (4)	0.71988 (6)	0.0589 (3)
O5_6	0.2696 (3)	0.6195 (4)	0.74450 (6)	0.0516 (2)
C1_6	0.0771 (5)	0.4396 (6)	0.72531 (10)	0.0642 (4)
H11_6	0.0169	0.4373	0.7296	0.077*
H12_6	0.1111	0.3837	0.7301	0.077*
C2_6	0.0692 (4)	0.4432 (7)	0.70399 (10)	0.0658 (4)
H21_6	0.0404	0.3857	0.6985	0.079*
H22_6	0.0325	0.4974	0.6992	0.079*
C3_6	0.1664 (4)	0.4563 (6)	0.67872 (8)	0.0574 (4)
H31_6	0.1343	0.5117	0.6731	0.069*
H32_6	0.1403	0.3998	0.6722	0.069*
C4_6	0.2659 (4)	0.4630 (6)	0.67694 (9)	0.0547 (4)
H41_6	0.2971	0.4055	0.6818	0.066*
H42_6	0.2754	0.4711	0.6636	0.066*
C5_6	0.3964 (4)	0.5564 (7)	0.68934 (10)	0.0705 (5)
H51_6	0.4147	0.5679	0.6767	0.085*
H52_6	0.4279	0.5002	0.6948	0.085*
C6_6	0.4190 (5)	0.6404 (7)	0.70210 (10)	0.0750 (5)
H61_6	0.4846	0.6498	0.7041	0.090*
H62_6	0.3910	0.6972	0.6961	0.090*
C7_6	0.3878 (5)	0.7045 (6)	0.73258 (10)	0.0682 (4)
H71_6	0.3521	0.7562	0.7264	0.082*
H72_6	0.4502	0.7264	0.7359	0.082*
C8_6	0.3492 (5)	0.6746 (6)	0.75009 (10)	0.0649 (4)
H81_6	0.3937	0.6372	0.7582	0.078*
H82_6	0.3338	0.7301	0.7573	0.078*
C9_6	0.2001 (4)	0.6161 (6)	0.75713 (9)	0.0519 (3)
H91_6	0.1603	0.6710	0.7551	0.062*
H92_6	0.2276	0.6160	0.7705	0.062*
C10_6	0.1472 (5)	0.5271 (6)	0.75271 (8)	0.0554 (4)
H101_6	0.1836	0.4719	0.7571	0.066*
H102_6	0.0921	0.5272	0.7590	0.066*
O6_7	0.3209 (4)	0.4439 (4)	0.85543 (7)	0.0602 (3)
H1W_7	0.318 (4)	0.399 (3)	0.8480 (6)	0.090*
H2W_7	0.321 (4)	0.421 (4)	0.8662 (3)	0.090*
O7_7	0.1817 (4)	0.6712 (4)	0.83348 (7)	0.0610 (3)
H3W_7	0.159 (4)	0.713 (4)	0.8396 (8)	0.092*
H4W_7	0.146 (3)	0.661 (5)	0.8238 (6)	0.092*
Zn7_7	0.25142 (10)	0.55458 (13)	0.84518 (2)	0.03835 (10)	0.735 (2)
O1_7	0.3744 (3)	0.5843 (4)	0.82902 (6)	0.0472 (2)	0.735 (2)
O2_7	0.3364 (4)	0.6602 (4)	0.86229 (7)	0.0504 (2)	0.735 (2)
O3_7	0.2015 (3)	0.5614 (5)	0.87367 (6)	0.0521 (3)	0.735 (2)
O4_7	0.1169 (4)	0.4743 (5)	0.84245 (8)	0.0589 (3)	0.735 (2)
O5_7	0.2289 (4)	0.4874 (4)	0.81715 (7)	0.0516 (2)	0.735 (2)
C1_7	0.4166 (6)	0.6717 (7)	0.83564 (12)	0.0642 (4)	0.735 (2)
H11_7	0.3790	0.7251	0.8308	0.077*	0.735 (2)
H12_7	0.4760	0.6778	0.8311	0.077*	0.735 (2)
C2_7	0.4271 (5)	0.6706 (8)	0.85726 (11)	0.0658 (4)	0.735 (2)
H21_7	0.4653	0.6179	0.8622	0.079*	0.735 (2)
H22_7	0.4543	0.7295	0.8624	0.079*	0.735 (2)
C3_7	0.3306 (5)	0.6590 (7)	0.88256 (10)	0.0574 (4)	0.735 (2)
H31_7	0.3523	0.7186	0.8884	0.069*	0.735 (2)
H32_7	0.3667	0.6073	0.8887	0.069*	0.735 (2)
C4_7	0.2304 (5)	0.6449 (7)	0.88431 (11)	0.0547 (4)	0.735 (2)
H41_7	0.2213	0.6373	0.8977	0.066*	0.735 (2)
H42_7	0.1955	0.6996	0.8791	0.066*	0.735 (2)
C5_7	0.1085 (5)	0.5401 (8)	0.87339 (12)	0.0705 (5)	0.735 (2)
H51_7	0.0713	0.5925	0.8678	0.085*	0.735 (2)
H52_7	0.0940	0.5290	0.8864	0.085*	0.735 (2)
C6_7	0.0905 (7)	0.4519 (8)	0.86133 (12)	0.0750 (5)	0.735 (2)
H61_7	0.1263	0.3990	0.8671	0.090*	0.735 (2)
H62_7	0.0263	0.4349	0.8603	0.090*	0.735 (2)
C7_7	0.1196 (7)	0.3949 (7)	0.82974 (12)	0.0682 (4)	0.735 (2)
H71_7	0.0590	0.3674	0.8269	0.082*	0.735 (2)
H72_7	0.1604	0.3463	0.8357	0.082*	0.735 (2)
C8_7	0.1522 (6)	0.4289 (8)	0.81194 (11)	0.0649 (4)	0.735 (2)
H81_7	0.1690	0.3754	0.8043	0.078*	0.735 (2)
H82_7	0.1045	0.4647	0.8043	0.078*	0.735 (2)
C9_7	0.2988 (5)	0.4901 (7)	0.80488 (11)	0.0519 (3)	0.735 (2)
H91_7	0.2724	0.4861	0.7915	0.062*	0.735 (2)
H92_7	0.3403	0.4369	0.8076	0.062*	0.735 (2)
C10_7	0.3489 (6)	0.5816 (7)	0.80848 (10)	0.0554 (4)	0.735 (2)
H101_7	0.4026	0.5832	0.8017	0.066*	0.735 (2)
H102_7	0.3098	0.6351	0.8043	0.066*	0.735 (2)
Zn10_10	0.2465 (2)	0.5528 (3)	0.84259 (4)	0.03835 (10)	0.265 (2)
O1_10	0.1293 (3)	0.5149 (5)	0.85890 (7)	0.0472 (2)	0.265 (2)
O2_10	0.1633 (4)	0.4486 (5)	0.82565 (7)	0.0504 (2)	0.265 (2)
O3_10	0.2978 (4)	0.5442 (5)	0.81464 (5)	0.0521 (3)	0.265 (2)
O4_10	0.3780 (3)	0.6334 (5)	0.84486 (8)	0.0589 (3)	0.265 (2)
O5_10	0.2664 (4)	0.6202 (5)	0.86976 (6)	0.0516 (2)	0.265 (2)
C1_10	0.0841 (5)	0.4267 (6)	0.85232 (10)	0.0642 (4)	0.265 (2)
H1A_10	0.0241	0.4217	0.8568	0.077*	0.265 (2)
H1B_10	0.1212	0.3728	0.8570	0.077*	0.265 (2)
C2_10	0.0740 (4)	0.4302 (6)	0.83048 (10)	0.0658 (4)	0.265 (2)
H2A_10	0.0511	0.3703	0.8251	0.079*	0.265 (2)
H2B_10	0.0316	0.4799	0.8257	0.079*	0.265 (2)
C3_10	0.1674 (5)	0.4494 (7)	0.80563 (7)	0.0574 (4)	0.265 (2)
H3A_10	0.1308	0.5010	0.7996	0.069*	0.265 (2)
H3B_10	0.1444	0.3903	0.7999	0.069*	0.265 (2)
C4_10	0.2678 (6)	0.4624 (7)	0.80326 (8)	0.0547 (4)	0.265 (2)
H4A_10	0.3031	0.4070	0.8078	0.066*	0.265 (2)
H4B_10	0.2753	0.4729	0.7899	0.066*	0.265 (2)
C5_10	0.3954 (4)	0.5655 (7)	0.81520 (9)	0.0705 (5)	0.265 (2)
H5A_10	0.4116	0.5755	0.8024	0.085*	0.265 (2)
H5B_10	0.4327	0.5142	0.8212	0.085*	0.265 (2)
C6_10	0.4095 (5)	0.6530 (7)	0.82677 (10)	0.0750 (5)	0.265 (2)
H6A_10	0.4743	0.6702	0.8285	0.090*	0.265 (2)
H6B_10	0.3746	0.7049	0.8204	0.090*	0.265 (2)
C7_10	0.3783 (5)	0.7136 (6)	0.85686 (11)	0.0682 (4)	0.265 (2)
H7A_10	0.3389	0.7628	0.8507	0.082*	0.265 (2)
H7B_10	0.4404	0.7386	0.8597	0.082*	0.265 (2)
C8_10	0.3421 (6)	0.6806 (6)	0.87526 (9)	0.0649 (4)	0.265 (2)
H8A_10	0.3900	0.6469	0.8833	0.078*	0.265 (2)
H8B_10	0.3227	0.7344	0.8824	0.078*	0.265 (2)
C9_10	0.2014 (6)	0.6133 (7)	0.88299 (7)	0.0519 (3)	0.265 (2)
H9A_10	0.1576	0.6651	0.8812	0.062*	0.265 (2)
H9B_10	0.2320	0.6151	0.8960	0.062*	0.265 (2)
C10_10	0.1536 (5)	0.5210 (7)	0.87905 (7)	0.0554 (4)	0.265 (2)
H10A_10	0.1942	0.4692	0.8835	0.066*	0.265 (2)
H10B_10	0.0988	0.5178	0.8856	0.066*	0.265 (2)
O6_8	0.3115 (4)	0.4364 (4)	0.98062 (7)	0.0602 (3)
H1W_8	0.331 (4)	0.397 (3)	0.9736 (7)	0.090*
H2W_8	0.318 (4)	0.413 (4)	0.9914 (3)	0.090*
O7_8	0.1911 (4)	0.6745 (4)	0.95898 (7)	0.0610 (3)
H3W_8	0.177 (4)	0.719 (3)	0.9656 (8)	0.092*
H4W_8	0.151 (3)	0.674 (5)	0.9498 (6)	0.092*
Zn8_8	0.25162 (6)	0.55572 (8)	0.970240 (10)	0.03835 (10)
O1_8	0.3777 (2)	0.5821 (4)	0.95497 (6)	0.0472 (2)
O2_8	0.3410 (3)	0.6556 (4)	0.98810 (6)	0.0504 (2)
O3_8	0.1994 (3)	0.5655 (4)	0.99869 (5)	0.0521 (3)
O4_8	0.1132 (3)	0.4842 (4)	0.96657 (6)	0.0589 (3)
O5_8	0.2289 (3)	0.4901 (4)	0.94257 (6)	0.0516 (2)
C1_8	0.4248 (5)	0.6659 (6)	0.96177 (10)	0.0642 (4)
H11_8	0.3915	0.7220	0.9568	0.077*
H12_8	0.4853	0.6674	0.9576	0.077*
C2_8	0.4318 (4)	0.6637 (7)	0.98345 (9)	0.0658 (4)
H21_8	0.4682	0.6098	0.9885	0.079*
H22_8	0.4601	0.7216	0.9889	0.079*
C3_8	0.3334 (4)	0.6517 (6)	1.00823 (8)	0.0574 (4)
H31_8	0.3594	0.7084	1.0147	0.069*
H32_8	0.3651	0.5964	1.0140	0.069*
C4_8	0.2322 (4)	0.6454 (6)	1.00990 (9)	0.0547 (4)
H41_8	0.2220	0.6368	1.0232	0.066*
H42_8	0.2012	0.7030	1.0050	0.066*
C5_8	0.1028 (4)	0.5531 (7)	0.99692 (9)	0.0705 (5)
H51_8	0.0720	0.6079	0.9906	0.085*
H52_8	0.0825	0.5456	1.0095	0.085*
C6_8	0.0823 (5)	0.4661 (7)	0.98516 (10)	0.0750 (5)
H61_8	0.1142	0.4117	0.9913	0.090*
H62_8	0.0172	0.4531	0.9836	0.090*
C7_8	0.1121 (5)	0.4046 (6)	0.95434 (10)	0.0682 (4)
H71_8	0.0500	0.3816	0.9512	0.082*
H72_8	0.1487	0.3537	0.9607	0.082*
C8_8	0.1505 (5)	0.4346 (6)	0.93641 (10)	0.0649 (4)
H81_8	0.1670	0.3793	0.9293	0.078*
H82_8	0.1061	0.4718	0.9282	0.078*
C9_8	0.2987 (4)	0.4903 (6)	0.93020 (9)	0.0519 (3)
H91_8	0.2720	0.4902	0.9168	0.062*
H92_8	0.3372	0.4345	0.9325	0.062*
C10_8	0.3535 (5)	0.5788 (6)	0.93467 (8)	0.0554 (4)
H101_8	0.4081	0.5776	0.9282	0.066*
H102_8	0.3178	0.6344	0.9303	0.066*
N1_11	0.0807 (4)	0.7424 (4)	0.03601 (8)	0.0483 (3)
O8_11	0.0568 (4)	0.6727 (5)	0.04438 (10)	0.1026 (5)
O9_11	0.1530 (4)	0.7782 (5)	0.04336 (8)	0.0830 (4)
O10_11	0.0420 (4)	0.7714 (5)	0.02059 (8)	0.0857 (4)
N2_12	0.1022 (4)	0.7340 (4)	0.16436 (8)	0.0462 (3)
O8_12	0.0900 (4)	0.6618 (4)	0.17383 (8)	0.0800 (4)
O9_12	0.1766 (4)	0.7751 (5)	0.16820 (8)	0.0796 (4)
O10_12	0.0473 (4)	0.7615 (6)	0.15122 (8)	0.0895 (4)
N3_13	0.0852 (4)	0.7400 (4)	0.28785 (8)	0.0483 (3)
O8_13	0.0700 (5)	0.6693 (5)	0.29738 (9)	0.1026 (5)
O9_13	0.1532 (4)	0.7850 (5)	0.29427 (7)	0.0830 (4)
O10_13	0.0435 (4)	0.7586 (5)	0.27199 (8)	0.0857 (4)
N4_14	0.0840 (4)	0.7395 (5)	0.41200 (8)	0.0483 (3)
O8_14	0.0623 (5)	0.6686 (5)	0.42014 (10)	0.1026 (5)
O9_14	0.1596 (4)	0.7732 (5)	0.41879 (8)	0.0830 (4)
O10_14	0.0444 (4)	0.7765 (5)	0.39746 (8)	0.0857 (4)
N5_15	0.1004 (4)	0.7361 (4)	0.54003 (8)	0.0462 (3)
O8_15	0.0917 (4)	0.6625 (4)	0.54948 (8)	0.0800 (4)
O9_15	0.1698 (4)	0.7827 (5)	0.54432 (8)	0.0796 (4)
O10_15	0.0451 (4)	0.7553 (6)	0.52624 (8)	0.0895 (4)
N6_16	0.0821 (4)	0.7424 (4)	0.66173 (8)	0.0483 (3)
O8_16	0.0629 (5)	0.6724 (5)	0.67073 (9)	0.1026 (5)
O9_16	0.1508 (4)	0.7842 (5)	0.66909 (8)	0.0830 (4)
O10_16	0.0431 (4)	0.7653 (5)	0.64592 (8)	0.0857 (4)
N7_17	0.0948 (4)	0.7345 (4)	0.78838 (8)	0.0462 (3)
O8_17	0.0812 (4)	0.6626 (4)	0.79766 (7)	0.0800 (4)
O9_17	0.1709 (4)	0.7727 (5)	0.79323 (8)	0.0796 (4)
O10_17	0.0453 (4)	0.7664 (6)	0.77498 (8)	0.0895 (4)
N8_18	0.0921 (4)	0.7375 (4)	0.91405 (8)	0.0462 (3)
O8_18	0.0854 (4)	0.6655 (4)	0.92405 (8)	0.0800 (4)
O9_18	0.1606 (4)	0.7861 (5)	0.91887 (8)	0.0796 (4)
O10_18	0.0417 (4)	0.7530 (6)	0.89911 (8)	0.0895 (4)
N9_19	0.4023 (4)	0.3760 (4)	0.14737 (8)	0.0462 (3)
O8_19	0.4103 (4)	0.4486 (4)	0.13805 (8)	0.0800 (4)
O9_19	0.3324 (4)	0.3272 (5)	0.14369 (8)	0.0796 (4)
O10_19	0.4573 (4)	0.3482 (6)	0.16062 (8)	0.0895 (4)
N10_20	0.4174 (4)	0.3677 (5)	0.27615 (8)	0.0483 (3)
O8_20	0.4454 (4)	0.4372 (5)	0.26855 (9)	0.1026 (5)
O9_20	0.3471 (4)	0.3275 (5)	0.26937 (8)	0.0830 (4)
O10_20	0.4582 (4)	0.3378 (5)	0.29127 (8)	0.0857 (4)
N11_21	0.4102 (4)	0.3736 (4)	0.39871 (7)	0.0462 (3)
O8_21	0.4184 (4)	0.4425 (4)	0.38869 (8)	0.0800 (4)
O9_21	0.3475 (4)	0.3141 (4)	0.39463 (8)	0.0796 (4)
O10_21	0.4621 (4)	0.3574 (5)	0.41317 (8)	0.0895 (4)
N12_22	0.4018 (4)	0.3758 (4)	0.52330 (8)	0.0462 (3)
O8_22	0.4182 (4)	0.4483 (4)	0.51466 (8)	0.0800 (4)
O9_22	0.3277 (4)	0.3347 (5)	0.51951 (8)	0.0796 (4)
O10_22	0.4559 (4)	0.3426 (6)	0.53665 (8)	0.0895 (4)
N13_23	0.4224 (4)	0.3690 (4)	0.65110 (8)	0.0483 (3)
O8_23	0.4465 (4)	0.4381 (5)	0.64270 (9)	0.1026 (5)
O9_23	0.3542 (4)	0.3221 (5)	0.64480 (8)	0.0830 (4)
O10_23	0.4623 (4)	0.3425 (5)	0.66656 (8)	0.0857 (4)
N14_24	0.4042 (4)	0.3745 (4)	0.77269 (8)	0.0462 (3)
O8_24	0.4104 (4)	0.4464 (4)	0.76302 (8)	0.0800 (4)
O9_24	0.3393 (4)	0.3182 (5)	0.76900 (8)	0.0796 (4)
O10_24	0.4607 (4)	0.3537 (6)	0.78644 (8)	0.0895 (4)
N15_25	0.4098 (4)	0.3699 (4)	0.89988 (8)	0.0483 (3)
O8_25	0.4384 (4)	0.4412 (4)	0.89278 (9)	0.1026 (5)
O9_25	0.3355 (4)	0.3349 (5)	0.89390 (8)	0.0830 (4)
O10_25	0.4554 (4)	0.3348 (5)	0.91404 (8)	0.0857 (4)
N16_26	0.4184 (4)	0.3721 (4)	1.02478 (8)	0.0483 (3)
O8_26	0.4330 (5)	0.4404 (5)	1.01535 (9)	0.1026 (5)
O9_26	0.3572 (4)	0.3138 (5)	1.01947 (8)	0.0830 (4)
O10_26	0.4650 (4)	0.3549 (5)	1.04001 (8)	0.0857 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O6_1	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_1	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn1_1	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_1	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_1	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_1	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_1	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_1	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_1	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_1	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_1	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_1	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_1	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_1	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_1	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_1	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_1	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_1	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
O6_2	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_2	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn2_2	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_2	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_2	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_2	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_2	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_2	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_2	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_2	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_2	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_2	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_2	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_2	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_2	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_2	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_2	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_2	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
O6_3	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_3	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn3_3	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_3	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_3	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_3	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_3	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_3	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_3	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_3	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_3	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_3	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_3	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_3	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_3	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_3	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_3	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_3	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
Zn9_9	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_9	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_9	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_9	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_9	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_9	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_9	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_9	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_9	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_9	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_9	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_9	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_9	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_9	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_9	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_9	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
O6_4	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_4	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn4_4	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_4	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_4	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_4	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_4	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_4	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_4	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_4	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_4	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_4	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_4	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_4	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_4	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_4	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_4	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_4	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
O6_5	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_5	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn5_5	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_5	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_5	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_5	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_5	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_5	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_5	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_5	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_5	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_5	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_5	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_5	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_5	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_5	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_5	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_5	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
O6_6	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_6	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn6_6	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_6	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_6	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_6	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_6	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_6	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_6	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_6	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_6	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_6	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_6	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_6	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_6	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_6	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_6	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_6	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
O6_7	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_7	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn7_7	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_7	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_7	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_7	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_7	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_7	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_7	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_7	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_7	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_7	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_7	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_7	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_7	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_7	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_7	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_7	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
Zn10_10	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_10	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_10	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_10	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_10	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_10	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_10	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_10	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_10	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_10	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_10	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_10	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_10	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_10	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_10	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_10	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
O6_8	0.0823 (7)	0.0512 (6)	0.0462 (5)	0.0229 (5)	0.0038 (5)	−0.0008 (4)
O7_8	0.0739 (7)	0.0524 (6)	0.0537 (5)	0.0249 (5)	−0.0046 (5)	−0.0038 (4)
Zn8_8	0.03781 (15)	0.03849 (15)	0.03912 (13)	0.00208 (6)	0.00617 (9)	−0.00227 (6)
O1_8	0.0438 (5)	0.0515 (5)	0.0476 (5)	−0.0053 (4)	0.0110 (4)	−0.0020 (4)
O2_8	0.0476 (5)	0.0558 (5)	0.0481 (5)	−0.0017 (4)	0.0062 (4)	−0.0063 (4)
O3_8	0.0528 (6)	0.0558 (6)	0.0503 (5)	−0.0015 (4)	0.0166 (5)	−0.0089 (4)
O4_8	0.0550 (6)	0.0661 (6)	0.0581 (5)	−0.0163 (5)	0.0167 (4)	−0.0086 (4)
O5_8	0.0504 (5)	0.0590 (5)	0.0465 (5)	−0.0106 (4)	0.0099 (4)	−0.0150 (4)
C1_8	0.0566 (9)	0.0615 (9)	0.0783 (10)	−0.0205 (7)	0.0232 (7)	−0.0108 (7)
C2_8	0.0491 (9)	0.0722 (10)	0.0762 (10)	−0.0165 (7)	0.0084 (7)	−0.0195 (8)
C3_8	0.0737 (10)	0.0528 (8)	0.0434 (7)	−0.0024 (7)	−0.0015 (6)	−0.0120 (6)
C4_8	0.0738 (10)	0.0499 (7)	0.0420 (7)	0.0090 (7)	0.0128 (6)	−0.0075 (5)
C5_8	0.0613 (12)	0.0922 (13)	0.0633 (10)	−0.0080 (8)	0.0294 (9)	−0.0081 (8)
C6_8	0.0677 (10)	0.0921 (12)	0.0707 (10)	−0.0293 (9)	0.0304 (8)	−0.0074 (9)
C7_8	0.0717 (11)	0.0631 (9)	0.0703 (9)	−0.0257 (8)	0.0104 (8)	−0.0121 (7)
C8_8	0.0649 (10)	0.0689 (10)	0.0600 (9)	−0.0214 (8)	0.0035 (7)	−0.0190 (7)
C9_8	0.0576 (8)	0.0608 (8)	0.0386 (6)	0.0064 (7)	0.0108 (6)	−0.0036 (6)
C10_8	0.0573 (9)	0.0638 (8)	0.0472 (7)	−0.0011 (8)	0.0158 (6)	0.0073 (6)
N1_11	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_11	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_11	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_11	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)
N2_12	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_12	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_12	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_12	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N3_13	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_13	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_13	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_13	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)
N4_14	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_14	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_14	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_14	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)
N5_15	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_15	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_15	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_15	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N6_16	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_16	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_16	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_16	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)
N7_17	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_17	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_17	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_17	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N8_18	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_18	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_18	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_18	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N9_19	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_19	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_19	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_19	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N10_20	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_20	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_20	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_20	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)
N11_21	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_21	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_21	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_21	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N12_22	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_22	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_22	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_22	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N13_23	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_23	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_23	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_23	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)
N14_24	0.0540 (7)	0.0409 (6)	0.0445 (5)	0.0046 (5)	0.0091 (5)	−0.0016 (4)
O8_24	0.0977 (9)	0.0637 (7)	0.0783 (7)	−0.0254 (6)	0.0091 (6)	0.0150 (5)
O9_24	0.0942 (9)	0.0712 (8)	0.0701 (7)	−0.0298 (7)	−0.0038 (6)	0.0068 (5)
O10_24	0.0770 (8)	0.1017 (10)	0.0841 (8)	0.0232 (7)	−0.0134 (7)	0.0091 (7)
N15_25	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_25	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_25	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_25	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)
N16_26	0.0554 (7)	0.0394 (6)	0.0514 (6)	0.0020 (5)	0.0123 (5)	−0.0033 (4)
O8_26	0.1348 (13)	0.0658 (8)	0.1142 (10)	−0.0210 (8)	0.0430 (9)	0.0218 (7)
O9_26	0.0848 (9)	0.0939 (10)	0.0665 (7)	−0.0219 (7)	−0.0057 (6)	−0.0093 (6)
O10_26	0.0823 (9)	0.0930 (9)	0.0762 (7)	0.0166 (7)	−0.0132 (6)	0.0106 (6)

Geometric parameters (Å, º)

O6_1—Zn1_1	2.027 (5)	C2_5—H22_5	0.9700
O6_1—H1W_1	0.821 (10)	C3_5—C4_5	1.502 (7)
O6_1—H2W_1	0.815 (10)	C3_5—H31_5	0.9700
O7_1—Zn1_1	1.997 (5)	C3_5—H32_5	0.9700
O7_1—H3W_1	0.817 (10)	C4_5—H41_5	0.9700
O7_1—H4W_1	0.817 (10)	C4_5—H42_5	0.9700
Zn1_1—O5_1	2.142 (4)	C5_5—C6_5	1.474 (9)
Zn1_1—O2_1	2.203 (5)	C5_5—H51_5	0.9700
Zn1_1—O3_1	2.231 (4)	C5_5—H52_5	0.9700
Zn1_1—O1_1	2.248 (3)	C6_5—H61_5	0.9700
Zn1_1—O4_1	2.264 (4)	C6_5—H62_5	0.9700
O1_1—C10_1	1.440 (6)	C7_5—C8_5	1.478 (8)
O1_1—C1_1	1.453 (7)	C7_5—H71_5	0.9700
O2_1—C3_1	1.421 (7)	C7_5—H72_5	0.9700
O2_1—C2_1	1.438 (6)	C8_5—H81_5	0.9700
O3_1—C5_1	1.435 (6)	C8_5—H82_5	0.9700
O3_1—C4_1	1.440 (7)	C9_5—C10_5	1.506 (8)
O4_1—C6_1	1.417 (7)	C9_5—H91_5	0.9700
O4_1—C7_1	1.421 (7)	C9_5—H92_5	0.9700
O5_1—C8_1	1.411 (7)	C10_5—H101_5	0.9700
O5_1—C9_1	1.436 (6)	C10_5—H102_5	0.9700
C1_1—C2_1	1.498 (8)	O6_6—Zn6_6	2.025 (6)
C1_1—H11_1	0.9700	O6_6—H1W_6	0.820 (10)
C1_1—H12_1	0.9700	O6_6—H2W_6	0.820 (10)
C2_1—H21_1	0.9700	O7_6—Zn6_6	2.002 (6)
C2_1—H22_1	0.9700	O7_6—H3W_6	0.819 (10)
C3_1—C4_1	1.510 (7)	O7_6—H4W_6	0.817 (10)
C3_1—H31_1	0.9700	Zn6_6—O5_6	2.150 (4)
C3_1—H32_1	0.9700	Zn6_6—O2_6	2.205 (5)
C4_1—H41_1	0.9700	Zn6_6—O3_6	2.237 (4)
C4_1—H42_1	0.9700	Zn6_6—O1_6	2.250 (4)
C5_1—C6_1	1.490 (9)	Zn6_6—O4_6	2.267 (4)
C5_1—H51_1	0.9700	O1_6—C10_6	1.435 (6)
C5_1—H52_1	0.9700	O1_6—C1_6	1.443 (8)
C6_1—H61_1	0.9700	O2_6—C3_6	1.419 (7)
C6_1—H62_1	0.9700	O2_6—C2_6	1.429 (6)
C7_1—C8_1	1.478 (8)	O3_6—C5_6	1.420 (6)
C7_1—H71_1	0.9700	O3_6—C4_6	1.433 (7)
C7_1—H72_1	0.9700	O4_6—C6_6	1.407 (7)
C8_1—H81_1	0.9700	O4_6—C7_6	1.433 (7)
C8_1—H82_1	0.9700	O5_6—C8_6	1.421 (7)
C9_1—C10_1	1.466 (8)	O5_6—C9_6	1.432 (6)
C9_1—H91_1	0.9700	C1_6—C2_6	1.482 (8)
C9_1—H92_1	0.9700	C1_6—H11_6	0.9700
C10_1—H101_1	0.9700	C1_6—H12_6	0.9700
C10_1—H102_1	0.9700	C2_6—H21_6	0.9700
O6_2—Zn2_2	1.968 (5)	C2_6—H22_6	0.9700
O6_2—H1W_2	0.820 (10)	C3_6—C4_6	1.489 (7)
O6_2—H2W_2	0.821 (10)	C3_6—H31_6	0.9700
O7_2—Zn2_2	2.019 (6)	C3_6—H32_6	0.9700
O7_2—H3W_2	0.811 (10)	C4_6—H41_6	0.9700
O7_2—H4W_2	0.809 (10)	C4_6—H42_6	0.9700
Zn2_2—O5_2	2.149 (4)	C5_6—C6_6	1.492 (9)
Zn2_2—O2_2	2.211 (5)	C5_6—H51_6	0.9700
Zn2_2—O3_2	2.221 (4)	C5_6—H52_6	0.9700
Zn2_2—O4_2	2.263 (4)	C6_6—H61_6	0.9700
Zn2_2—O1_2	2.304 (4)	C6_6—H62_6	0.9700
O1_2—C10_2	1.421 (6)	C7_6—C8_6	1.472 (8)
O1_2—C1_2	1.425 (7)	C7_6—H71_6	0.9700
O2_2—C2_2	1.415 (6)	C7_6—H72_6	0.9700
O2_2—C3_2	1.429 (6)	C8_6—H81_6	0.9700
O3_2—C5_2	1.419 (6)	C8_6—H82_6	0.9700
O3_2—C4_2	1.422 (7)	C9_6—C10_6	1.486 (8)
O4_2—C7_2	1.421 (8)	C9_6—H91_6	0.9700
O4_2—C6_2	1.443 (7)	C9_6—H92_6	0.9700
O5_2—C9_2	1.404 (6)	C10_6—H101_6	0.9700
O5_2—C8_2	1.413 (7)	C10_6—H102_6	0.9700
C1_2—C2_2	1.503 (8)	O6_7—Zn7_7	1.950 (5)
C1_2—H11_2	0.9700	O6_7—Zn10_10	2.027 (6)
C1_2—H12_2	0.9700	O6_7—H1W_7	0.820 (10)
C2_2—H21_2	0.9700	O6_7—H2W_7	0.820 (10)
C2_2—H22_2	0.9700	O7_7—Zn10_10	1.985 (6)
C3_2—C4_2	1.502 (8)	O7_7—Zn7_7	2.052 (5)
C3_2—H31_2	0.9700	O7_7—H3W_7	0.819 (10)
C3_2—H32_2	0.9700	O7_7—H4W_7	0.814 (10)
C4_2—H41_2	0.9700	Zn7_7—O5_7	2.164 (5)
C4_2—H42_2	0.9700	Zn7_7—O2_7	2.199 (6)
C5_2—C6_2	1.486 (9)	Zn7_7—O3_7	2.209 (5)
C5_2—H51_2	0.9700	Zn7_7—O4_7	2.269 (6)
C5_2—H52_2	0.9700	Zn7_7—O1_7	2.289 (5)
C6_2—H61_2	0.9700	O1_7—C1_7	1.427 (9)
C6_2—H62_2	0.9700	O1_7—C10_7	1.441 (7)
C7_2—C8_2	1.481 (8)	O1_7—H5B_10	1.4572
C7_2—H71_2	0.9700	O2_7—C3_7	1.430 (8)
C7_2—H72_2	0.9700	O2_7—C2_7	1.430 (8)
C8_2—H81_2	0.9700	O3_7—C5_7	1.400 (8)
C8_2—H82_2	0.9700	O3_7—C4_7	1.426 (8)
C9_2—C10_2	1.508 (8)	O3_7—H10A_10	1.4782
C9_2—H91_2	0.9700	O4_7—C7_7	1.430 (9)
C9_2—H92_2	0.9700	O4_7—C6_7	1.455 (8)
C10_2—H101_2	0.9700	O5_7—C8_7	1.410 (8)
C10_2—H102_2	0.9700	O5_7—C9_7	1.420 (8)
O6_3—Zn3_3	2.007 (6)	C1_7—C2_7	1.501 (10)
O6_3—Zn9_9	2.105 (6)	C1_7—H11_7	0.9700
O6_3—H1W_3	0.818 (10)	C1_7—H12_7	0.9700
O6_3—H2W_3	0.812 (10)	C1_7—H6A_10	1.0361
O7_3—Zn9_9	1.916 (6)	C1_7—H6B_10	1.2556
O7_3—Zn3_3	2.007 (6)	C2_7—H21_7	0.9700
O7_3—H3W_3	0.817 (10)	C2_7—H22_7	0.9700
O7_3—H4W_3	0.817 (10)	C2_7—H7B_10	0.9856
Zn3_3—O5_3	2.165 (5)	C3_7—C4_7	1.509 (9)
Zn3_3—O2_3	2.209 (6)	C3_7—H31_7	0.9700
Zn3_3—O3_3	2.232 (5)	C3_7—H32_7	0.9700
Zn3_3—O1_3	2.266 (5)	C3_7—H8A_10	0.8861
Zn3_3—O4_3	2.269 (5)	C3_7—H8B_10	1.0648
O1_3—C10_3	1.436 (8)	C4_7—H41_7	0.9700
O1_3—C1_3	1.439 (9)	C4_7—H42_7	0.9700
O2_3—C2_3	1.422 (8)	C4_7—H9A_10	1.1060
O2_3—C3_3	1.432 (8)	C4_7—H9B_10	0.9187
O3_3—C5_3	1.416 (8)	C5_7—C6_7	1.504 (11)
O3_3—C4_3	1.440 (8)	C5_7—H51_7	0.9700
O3_3—H10B_9	1.4232	C5_7—H52_7	0.9700
O4_3—C7_3	1.418 (9)	C5_7—H10B_10	0.9351
O4_3—C6_3	1.431 (8)	C6_7—H61_7	0.9700
O5_3—C9_3	1.423 (8)	C6_7—H62_7	0.9700
O5_3—C8_3	1.431 (8)	C6_7—H1A_10	1.0786
C1_3—C2_3	1.498 (10)	C6_7—H1B_10	1.2508
C1_3—H11_3	0.9700	C7_7—C8_7	1.467 (10)
C1_3—H12_3	0.9700	C7_7—H71_7	0.9700
C1_3—H6A_9	1.1897	C7_7—H72_7	0.9700
C1_3—H6B_9	1.1630	C7_7—H2A_10	1.0781
C2_3—H21_3	0.9700	C8_7—H81_7	0.9700
C2_3—H22_3	0.9700	C8_7—H82_7	0.9700
C2_3—H7A_9	0.9284	C8_7—H3A_10	1.3434
C3_3—C4_3	1.500 (9)	C8_7—H3B_10	0.9971
C3_3—H31_3	0.9700	C9_7—C10_7	1.488 (10)
C3_3—H32_3	0.9700	C9_7—H91_7	0.9700
C3_3—H8A_9	1.0277	C9_7—H92_7	0.9700
C3_3—H8B_9	1.0083	C9_7—H4A_10	1.1850
C4_3—H41_3	0.9700	C9_7—H4B_10	1.0915
C4_3—H42_3	0.9700	C10_7—H101_7	0.9700
C4_3—H9A_9	0.8026	C10_7—H102_7	0.9700
C4_3—H9B_9	1.1351	C10_7—H5A_10	1.0687
C5_3—C6_3	1.492 (10)	Zn10_10—O5_10	2.1118
C5_3—H51_3	0.9700	Zn10_10—O2_10	2.1665
C5_3—H52_3	0.9700	Zn10_10—O3_10	2.1836
C5_3—H10A_9	0.9271	Zn10_10—O4_10	2.2340
C6_3—H61_3	0.9700	Zn10_10—O1_10	2.2461
C6_3—H62_3	0.9700	O1_10—C10_10	1.4134
C6_3—H1A_9	1.2215	O1_10—C1_10	1.4548
C6_3—H1B_9	1.0009	O2_10—C3_10	1.4094
C7_3—C8_3	1.468 (10)	O2_10—C2_10	1.4206
C7_3—H71_3	0.9700	O3_10—C4_10	1.4359
C7_3—H72_3	0.9700	O3_10—C5_10	1.4648
C7_3—H2B_9	1.0907	O4_10—C7_10	1.4046
C8_3—H81_3	0.9700	O4_10—C6_10	1.4269
C8_3—H82_3	0.9700	O5_10—C9_10	1.4140
C8_3—H3A_9	1.0026	O5_10—C8_10	1.4163
C8_3—H3B_9	1.4656	C1_10—C2_10	1.5176
C9_3—C10_3	1.496 (10)	C1_10—H1A_10	0.9778
C9_3—H91_3	0.9700	C1_10—H1B_10	0.9688
C9_3—H92_3	0.9700	C2_10—H2A_10	0.9660
C9_3—H4A_9	1.0702	C2_10—H2B_10	0.9700
C9_3—H4B_9	1.2472	C3_10—C4_10	1.5191
C10_3—H101_3	0.9700	C3_10—H3A_10	0.9685
C10_3—H102_3	0.9700	C3_10—H3B_10	0.9658
C10_3—H5B_9	1.1131	C4_10—H4A_10	0.9682
Zn9_9—O5_9	2.0946	C4_10—H4B_10	0.9668
Zn9_9—O2_9	2.1722	C5_10—C6_10	1.4735
Zn9_9—O3_9	2.2015	C5_10—H5A_10	0.9675
Zn9_9—O1_9	2.2333	C5_10—H5B_10	0.9688
Zn9_9—O4_9	2.2366	C6_10—H6A_10	0.9783
O1_9—C1_9	1.4157	C6_10—H6B_10	0.9683
O1_9—C10_9	1.4414	C7_10—C8_10	1.5243
O2_9—C3_9	1.4292	C7_10—H7A_10	0.9692
O2_9—C2_9	1.4628	C7_10—H7B_10	0.9770
O3_9—C5_9	1.4050	C8_10—H8A_10	0.9717
O3_9—C4_9	1.4212	C8_10—H8B_10	0.9664
O4_9—C6_9	1.4098	C9_10—C10_10	1.4858
O4_9—C7_9	1.4276	C9_10—H9A_10	0.9706
O5_9—C9_9	1.4307	C9_10—H9B_10	0.9682
O5_9—C8_9	1.4343	C10_10—H10A_10	0.9695
C1_9—C2_9	1.4600	C10_10—H10B_10	0.9759
C1_9—H1A_9	0.9678	O6_8—Zn8_8	1.990 (6)
C1_9—H1B_9	0.9775	O6_8—H1W_8	0.821 (10)
C2_9—H2A_9	0.9695	O6_8—H2W_8	0.818 (10)
C2_9—H2B_9	0.9665	O7_8—Zn8_8	2.007 (6)
C3_9—C4_9	1.5017	O7_8—H3W_8	0.824 (10)
C3_9—H3A_9	0.9666	O7_8—H4W_8	0.821 (10)
C3_9—H3B_9	0.9675	Zn8_8—O5_8	2.133 (4)
C4_9—H4A_9	0.9669	Zn8_8—O2_8	2.206 (5)
C4_9—H4B_9	0.9673	Zn8_8—O3_8	2.223 (4)
C5_9—C6_9	1.5175	Zn8_8—O4_8	2.261 (4)
C5_9—H5A_9	0.9680	Zn8_8—O1_8	2.283 (4)
C5_9—H5B_9	0.9674	O1_8—C1_8	1.419 (7)
C6_9—H6A_9	0.9671	O1_8—C10_8	1.421 (6)
C6_9—H6B_9	0.9789	O2_8—C2_8	1.419 (6)
C7_9—C8_9	1.4401	O2_8—C3_8	1.427 (6)
C7_9—H7A_9	0.9774	O3_8—C4_8	1.420 (7)
C7_9—H7B_9	0.9686	O3_8—C5_8	1.424 (6)
C8_9—H8A_9	0.9656	O4_8—C7_8	1.407 (7)
C8_9—H8B_9	0.9708	O4_8—C6_8	1.451 (7)
C9_9—C10_9	1.4950	O5_8—C8_8	1.417 (7)
C9_9—H9A_9	0.9679	O5_8—C9_8	1.422 (6)
C9_9—H9B_9	0.9697	C1_8—C2_8	1.507 (8)
C10_9—H10A_9	0.9763	C1_8—H11_8	0.9700
C10_9—H10B_9	0.9687	C1_8—H12_8	0.9700
O6_4—Zn4_4	2.041 (5)	C2_8—H21_8	0.9700
O6_4—H1W_4	0.822 (10)	C2_8—H22_8	0.9700
O6_4—H2W_4	0.821 (10)	C3_8—C4_8	1.513 (7)
O7_4—Zn4_4	1.978 (5)	C3_8—H31_8	0.9700
O7_4—H3W_4	0.815 (10)	C3_8—H32_8	0.9700
O7_4—H4W_4	0.811 (10)	C4_8—H41_8	0.9700
Zn4_4—O5_4	2.130 (4)	C4_8—H42_8	0.9700
Zn4_4—O2_4	2.210 (5)	C5_8—C6_8	1.484 (9)
Zn4_4—O3_4	2.229 (4)	C5_8—H51_8	0.9700
Zn4_4—O1_4	2.242 (4)	C5_8—H52_8	0.9700
Zn4_4—O4_4	2.265 (4)	C6_8—H61_8	0.9700
O1_4—C10_4	1.431 (6)	C6_8—H62_8	0.9700
O1_4—C1_4	1.441 (7)	C7_8—C8_8	1.498 (8)
O2_4—C2_4	1.417 (6)	C7_8—H71_8	0.9700
O2_4—C3_4	1.431 (6)	C7_8—H72_8	0.9700
O3_4—C4_4	1.419 (7)	C8_8—H81_8	0.9700
O3_4—C5_4	1.426 (6)	C8_8—H82_8	0.9700
O4_4—C7_4	1.411 (7)	C9_8—C10_8	1.494 (8)
O4_4—C6_4	1.418 (7)	C9_8—H91_8	0.9700
O5_4—C9_4	1.429 (6)	C9_8—H92_8	0.9700
O5_4—C8_4	1.434 (7)	C10_8—H101_8	0.9700
C1_4—C2_4	1.501 (8)	C10_8—H102_8	0.9700
C1_4—H11_4	0.9700	N1_11—O8_11	1.215 (6)
C1_4—H12_4	0.9700	N1_11—O10_11	1.226 (6)
C2_4—H21_4	0.9700	N1_11—O9_11	1.232 (6)
C2_4—H22_4	0.9700	N2_12—O10_12	1.212 (6)
C3_4—C4_4	1.508 (7)	N2_12—O8_12	1.237 (6)
C3_4—H31_4	0.9700	N2_12—O9_12	1.239 (6)
C3_4—H32_4	0.9700	N3_13—O9_13	1.224 (6)
C4_4—H41_4	0.9700	N3_13—O10_13	1.229 (6)
C4_4—H42_4	0.9700	N3_13—O8_13	1.231 (6)
C5_4—C6_4	1.485 (9)	N4_14—O8_14	1.210 (6)
C5_4—H51_4	0.9700	N4_14—O10_14	1.225 (6)
C5_4—H52_4	0.9700	N4_14—O9_14	1.249 (6)
C6_4—H61_4	0.9700	N5_15—O10_15	1.214 (6)
C6_4—H62_4	0.9700	N5_15—O9_15	1.221 (6)
C7_4—C8_4	1.484 (8)	N5_15—O8_15	1.242 (6)
C7_4—H71_4	0.9700	N6_16—O8_16	1.220 (7)
C7_4—H72_4	0.9700	N6_16—O10_16	1.225 (6)
C8_4—H81_4	0.9700	N6_16—O9_16	1.227 (6)
C8_4—H82_4	0.9700	N7_17—O10_17	1.201 (6)
C9_4—C10_4	1.491 (8)	N7_17—O8_17	1.231 (6)
C9_4—H91_4	0.9700	N7_17—O9_17	1.252 (6)
C9_4—H92_4	0.9700	N8_18—O10_18	1.226 (6)
C10_4—H101_4	0.9700	N8_18—O9_18	1.231 (6)
C10_4—H102_4	0.9700	N8_18—O8_18	1.240 (6)
O6_5—Zn5_5	1.987 (6)	N9_19—O10_19	1.219 (6)
O6_5—H1W_5	0.813 (10)	N9_19—O8_19	1.224 (6)
O6_5—H2W_5	0.816 (10)	N9_19—O9_19	1.237 (6)
O7_5—Zn5_5	2.011 (6)	N10_20—O8_20	1.209 (6)
O7_5—H3W_5	0.815 (10)	N10_20—O9_20	1.224 (6)
O7_5—H4W_5	0.818 (10)	N10_20—O10_20	1.225 (6)
Zn5_5—O5_5	2.147 (4)	N11_21—O8_21	1.209 (6)
Zn5_5—O2_5	2.202 (5)	N11_21—O10_21	1.214 (6)
Zn5_5—O3_5	2.220 (4)	N11_21—O9_21	1.253 (6)
Zn5_5—O4_5	2.278 (4)	N12_22—O8_22	1.223 (6)
Zn5_5—O1_5	2.291 (3)	N12_22—O9_22	1.237 (6)
O1_5—C1_5	1.424 (7)	N12_22—O10_22	1.242 (6)
O1_5—C10_5	1.428 (6)	N13_23—O8_23	1.210 (6)
O2_5—C2_5	1.434 (6)	N13_23—O10_23	1.225 (6)
O2_5—C3_5	1.449 (7)	N13_23—O9_23	1.237 (6)
O3_5—C4_5	1.423 (7)	N14_24—O8_24	1.226 (6)
O3_5—C5_5	1.433 (6)	N14_24—O10_24	1.228 (6)
O4_5—C7_5	1.398 (7)	N14_24—O9_24	1.243 (6)
O4_5—C6_5	1.454 (7)	N15_25—O8_25	1.215 (6)
O5_5—C9_5	1.411 (6)	N15_25—O9_25	1.227 (6)
O5_5—C8_5	1.419 (7)	N15_25—O10_25	1.230 (6)
C1_5—C2_5	1.501 (8)	N16_26—O8_26	1.198 (7)
C1_5—H11_5	0.9700	N16_26—O10_26	1.220 (6)
C1_5—H12_5	0.9700	N16_26—O9_26	1.241 (6)
C2_5—H21_5	0.9700
Zn1_1—O6_1—H1W_1	119 (5)	O2_5—Zn5_5—O1_5	72.80 (15)
Zn1_1—O6_1—H2W_1	122 (5)	O3_5—Zn5_5—O1_5	144.13 (16)
H1W_1—O6_1—H2W_1	106 (2)	O4_5—Zn5_5—O1_5	141.58 (16)
Zn1_1—O7_1—H3W_1	125 (5)	C1_5—O1_5—C10_5	114.1 (5)
Zn1_1—O7_1—H4W_1	118 (5)	C1_5—O1_5—Zn5_5	110.7 (3)
H3W_1—O7_1—H4W_1	107 (2)	C10_5—O1_5—Zn5_5	109.7 (3)
O7_1—Zn1_1—O6_1	177.7 (3)	C2_5—O2_5—C3_5	115.0 (5)
O7_1—Zn1_1—O5_1	89.3 (2)	C2_5—O2_5—Zn5_5	115.5 (4)
O6_1—Zn1_1—O5_1	88.7 (2)	C3_5—O2_5—Zn5_5	113.8 (4)
O7_1—Zn1_1—O2_1	84.2 (2)	C4_5—O3_5—C5_5	115.1 (5)
O6_1—Zn1_1—O2_1	98.1 (2)	C4_5—O3_5—Zn5_5	114.3 (4)
O5_1—Zn1_1—O2_1	143.85 (16)	C5_5—O3_5—Zn5_5	111.4 (3)
O7_1—Zn1_1—O3_1	95.5 (2)	C7_5—O4_5—C6_5	116.4 (6)
O6_1—Zn1_1—O3_1	85.5 (2)	C7_5—O4_5—Zn5_5	111.5 (4)
O5_1—Zn1_1—O3_1	143.49 (17)	C6_5—O4_5—Zn5_5	110.9 (4)
O2_1—Zn1_1—O3_1	72.64 (16)	C9_5—O5_5—C8_5	117.1 (5)
O7_1—Zn1_1—O1_1	91.3 (2)	C9_5—O5_5—Zn5_5	120.3 (4)
O6_1—Zn1_1—O1_1	89.0 (2)	C8_5—O5_5—Zn5_5	122.2 (3)
O5_1—Zn1_1—O1_1	71.35 (14)	O1_5—C1_5—C2_5	107.8 (6)
O2_1—Zn1_1—O1_1	73.31 (15)	O1_5—C1_5—H11_5	110.1
O3_1—Zn1_1—O1_1	144.32 (16)	C2_5—C1_5—H11_5	110.1
O7_1—Zn1_1—O4_1	87.2 (2)	O1_5—C1_5—H12_5	110.1
O6_1—Zn1_1—O4_1	91.1 (2)	C2_5—C1_5—H12_5	110.1
O5_1—Zn1_1—O4_1	71.12 (15)	H11_5—C1_5—H12_5	108.5
O2_1—Zn1_1—O4_1	143.49 (15)	O2_5—C2_5—C1_5	105.4 (5)
O3_1—Zn1_1—O4_1	72.99 (15)	O2_5—C2_5—H21_5	110.7
O1_1—Zn1_1—O4_1	142.45 (16)	C1_5—C2_5—H21_5	110.7
C10_1—O1_1—C1_1	113.7 (5)	O2_5—C2_5—H22_5	110.7
C10_1—O1_1—Zn1_1	112.4 (3)	C1_5—C2_5—H22_5	110.7
C1_1—O1_1—Zn1_1	112.7 (3)	H21_5—C2_5—H22_5	108.8
C3_1—O2_1—C2_1	114.7 (5)	O2_5—C3_5—C4_5	106.0 (5)
C3_1—O2_1—Zn1_1	114.7 (4)	O2_5—C3_5—H31_5	110.5
C2_1—O2_1—Zn1_1	114.5 (4)	C4_5—C3_5—H31_5	110.5
C5_1—O3_1—C4_1	113.9 (5)	O2_5—C3_5—H32_5	110.5
C5_1—O3_1—Zn1_1	113.2 (3)	C4_5—C3_5—H32_5	110.5
C4_1—O3_1—Zn1_1	113.8 (4)	H31_5—C3_5—H32_5	108.7
C6_1—O4_1—C7_1	116.7 (6)	O3_5—C4_5—C3_5	106.3 (5)
C6_1—O4_1—Zn1_1	112.5 (4)	O3_5—C4_5—H41_5	110.5
C7_1—O4_1—Zn1_1	111.8 (4)	C3_5—C4_5—H41_5	110.5
C8_1—O5_1—C9_1	117.5 (5)	O3_5—C4_5—H42_5	110.5
C8_1—O5_1—Zn1_1	121.8 (3)	C3_5—C4_5—H42_5	110.5
C9_1—O5_1—Zn1_1	120.4 (3)	H41_5—C4_5—H42_5	108.7
O1_1—C1_1—C2_1	106.0 (6)	O3_5—C5_5—C6_5	107.6 (6)
O1_1—C1_1—H11_1	110.5	O3_5—C5_5—H51_5	110.2
C2_1—C1_1—H11_1	110.5	C6_5—C5_5—H51_5	110.2
O1_1—C1_1—H12_1	110.5	O3_5—C5_5—H52_5	110.2
C2_1—C1_1—H12_1	110.5	C6_5—C5_5—H52_5	110.2
H11_1—C1_1—H12_1	108.7	H51_5—C5_5—H52_5	108.5
O2_1—C2_1—C1_1	106.9 (5)	O4_5—C6_5—C5_5	106.9 (6)
O2_1—C2_1—H21_1	110.3	O4_5—C6_5—H61_5	110.3
C1_1—C2_1—H21_1	110.3	C5_5—C6_5—H61_5	110.3
O2_1—C2_1—H22_1	110.3	O4_5—C6_5—H62_5	110.3
C1_1—C2_1—H22_1	110.3	C5_5—C6_5—H62_5	110.3
H21_1—C2_1—H22_1	108.6	H61_5—C6_5—H62_5	108.6
O2_1—C3_1—C4_1	105.6 (5)	O4_5—C7_5—C8_5	108.4 (6)
O2_1—C3_1—H31_1	110.6	O4_5—C7_5—H71_5	110.0
C4_1—C3_1—H31_1	110.6	C8_5—C7_5—H71_5	110.0
O2_1—C3_1—H32_1	110.6	O4_5—C7_5—H72_5	110.0
C4_1—C3_1—H32_1	110.6	C8_5—C7_5—H72_5	110.0
H31_1—C3_1—H32_1	108.7	H71_5—C7_5—H72_5	108.4
O3_1—C4_1—C3_1	105.6 (5)	O5_5—C8_5—C7_5	107.2 (5)
O3_1—C4_1—H41_1	110.6	O5_5—C8_5—H81_5	110.3
C3_1—C4_1—H41_1	110.6	C7_5—C8_5—H81_5	110.3
O3_1—C4_1—H42_1	110.6	O5_5—C8_5—H82_5	110.3
C3_1—C4_1—H42_1	110.6	C7_5—C8_5—H82_5	110.3
H41_1—C4_1—H42_1	108.8	H81_5—C8_5—H82_5	108.5
O3_1—C5_1—C6_1	105.7 (5)	O5_5—C9_5—C10_5	106.2 (5)
O3_1—C5_1—H51_1	110.6	O5_5—C9_5—H91_5	110.5
C6_1—C5_1—H51_1	110.6	C10_5—C9_5—H91_5	110.5
O3_1—C5_1—H52_1	110.6	O5_5—C9_5—H92_5	110.5
C6_1—C5_1—H52_1	110.6	C10_5—C9_5—H92_5	110.5
H51_1—C5_1—H52_1	108.7	H91_5—C9_5—H92_5	108.7
O4_1—C6_1—C5_1	109.1 (6)	O1_5—C10_5—C9_5	105.3 (5)
O4_1—C6_1—H61_1	109.9	O1_5—C10_5—H101_5	110.7
C5_1—C6_1—H61_1	109.9	C9_5—C10_5—H101_5	110.7
O4_1—C6_1—H62_1	109.9	O1_5—C10_5—H102_5	110.7
C5_1—C6_1—H62_1	109.9	C9_5—C10_5—H102_5	110.7
H61_1—C6_1—H62_1	108.3	H101_5—C10_5—H102_5	108.8
O4_1—C7_1—C8_1	108.5 (6)	Zn6_6—O6_6—H1W_6	116 (5)
O4_1—C7_1—H71_1	110.0	Zn6_6—O6_6—H2W_6	120 (5)
C8_1—C7_1—H71_1	110.0	H1W_6—O6_6—H2W_6	103 (2)
O4_1—C7_1—H72_1	110.0	Zn6_6—O7_6—H3W_6	125 (5)
C8_1—C7_1—H72_1	110.0	Zn6_6—O7_6—H4W_6	129 (5)
H71_1—C7_1—H72_1	108.4	H3W_6—O7_6—H4W_6	106 (2)
O5_1—C8_1—C7_1	108.9 (5)	O7_6—Zn6_6—O6_6	177.5 (3)
O5_1—C8_1—H81_1	109.9	O7_6—Zn6_6—O5_6	89.3 (2)
C7_1—C8_1—H81_1	109.9	O6_6—Zn6_6—O5_6	88.4 (2)
O5_1—C8_1—H82_1	109.9	O7_6—Zn6_6—O2_6	83.9 (2)
C7_1—C8_1—H82_1	109.9	O6_6—Zn6_6—O2_6	98.6 (2)
H81_1—C8_1—H82_1	108.3	O5_6—Zn6_6—O2_6	143.99 (16)
O5_1—C9_1—C10_1	107.4 (5)	O7_6—Zn6_6—O3_6	95.8 (2)
O5_1—C9_1—H91_1	110.2	O6_6—Zn6_6—O3_6	85.5 (2)
C10_1—C9_1—H91_1	110.2	O5_6—Zn6_6—O3_6	143.42 (18)
O5_1—C9_1—H92_1	110.2	O2_6—Zn6_6—O3_6	72.57 (16)
C10_1—C9_1—H92_1	110.2	O7_6—Zn6_6—O1_6	91.3 (2)
H91_1—C9_1—H92_1	108.5	O6_6—Zn6_6—O1_6	88.9 (2)
O1_1—C10_1—C9_1	106.5 (5)	O5_6—Zn6_6—O1_6	71.48 (15)
O1_1—C10_1—H101_1	110.4	O2_6—Zn6_6—O1_6	73.38 (15)
C9_1—C10_1—H101_1	110.4	O3_6—Zn6_6—O1_6	144.20 (16)
O1_1—C10_1—H102_1	110.4	O7_6—Zn6_6—O4_6	87.3 (2)
C9_1—C10_1—H102_1	110.4	O6_6—Zn6_6—O4_6	91.0 (2)
H101_1—C10_1—H102_1	108.6	O5_6—Zn6_6—O4_6	71.26 (15)
Zn2_2—O6_2—H1W_2	125 (5)	O2_6—Zn6_6—O4_6	143.12 (16)
Zn2_2—O6_2—H2W_2	120 (4)	O3_6—Zn6_6—O4_6	72.82 (16)
H1W_2—O6_2—H2W_2	106 (2)	O1_6—Zn6_6—O4_6	142.73 (16)
Zn2_2—O7_2—H3W_2	122 (5)	C10_6—O1_6—C1_6	113.1 (5)
Zn2_2—O7_2—H4W_2	116 (5)	C10_6—O1_6—Zn6_6	112.4 (3)
H3W_2—O7_2—H4W_2	111 (3)	C1_6—O1_6—Zn6_6	111.8 (4)
O6_2—Zn2_2—O7_2	178.5 (3)	C3_6—O2_6—C2_6	115.9 (5)
O6_2—Zn2_2—O5_2	90.4 (2)	C3_6—O2_6—Zn6_6	115.0 (4)
O7_2—Zn2_2—O5_2	89.4 (2)	C2_6—O2_6—Zn6_6	113.9 (4)
O6_2—Zn2_2—O2_2	95.4 (2)	C5_6—O3_6—C4_6	114.8 (5)
O7_2—Zn2_2—O2_2	83.9 (2)	C5_6—O3_6—Zn6_6	113.2 (3)
O5_2—Zn2_2—O2_2	143.34 (16)	C4_6—O3_6—Zn6_6	113.1 (4)
O6_2—Zn2_2—O3_2	85.0 (2)	C6_6—O4_6—C7_6	116.0 (6)
O7_2—Zn2_2—O3_2	96.1 (2)	C6_6—O4_6—Zn6_6	112.7 (4)
O5_2—Zn2_2—O3_2	143.88 (17)	C7_6—O4_6—Zn6_6	110.9 (4)
O2_2—Zn2_2—O3_2	72.76 (16)	C8_6—O5_6—C9_6	118.5 (5)
O6_2—Zn2_2—O4_2	93.0 (2)	C8_6—O5_6—Zn6_6	121.2 (3)
O7_2—Zn2_2—O4_2	88.3 (2)	C9_6—O5_6—Zn6_6	120.1 (4)
O5_2—Zn2_2—O4_2	71.03 (15)	O1_6—C1_6—C2_6	106.3 (6)
O2_2—Zn2_2—O4_2	144.25 (16)	O1_6—C1_6—H11_6	110.5
O3_2—Zn2_2—O4_2	73.48 (16)	C2_6—C1_6—H11_6	110.5
O6_2—Zn2_2—O1_2	87.0 (2)	O1_6—C1_6—H12_6	110.5
O7_2—Zn2_2—O1_2	91.6 (2)	C2_6—C1_6—H12_6	110.5
O5_2—Zn2_2—O1_2	71.31 (15)	H11_6—C1_6—H12_6	108.7
O2_2—Zn2_2—O1_2	72.90 (15)	O2_6—C2_6—C1_6	107.4 (5)
O3_2—Zn2_2—O1_2	143.73 (16)	O2_6—C2_6—H21_6	110.2
O4_2—Zn2_2—O1_2	142.34 (16)	C1_6—C2_6—H21_6	110.2
C10_2—O1_2—C1_2	114.2 (5)	O2_6—C2_6—H22_6	110.2
C10_2—O1_2—Zn2_2	109.6 (3)	C1_6—C2_6—H22_6	110.2
C1_2—O1_2—Zn2_2	109.8 (4)	H21_6—C2_6—H22_6	108.5
C2_2—O2_2—C3_2	116.1 (5)	O2_6—C3_6—C4_6	105.9 (5)
C2_2—O2_2—Zn2_2	114.7 (4)	O2_6—C3_6—H31_6	110.6
C3_2—O2_2—Zn2_2	114.6 (4)	C4_6—C3_6—H31_6	110.6
C5_2—O3_2—C4_2	115.5 (5)	O2_6—C3_6—H32_6	110.6
C5_2—O3_2—Zn2_2	112.4 (3)	C4_6—C3_6—H32_6	110.6
C4_2—O3_2—Zn2_2	114.4 (4)	H31_6—C3_6—H32_6	108.7
C7_2—O4_2—C6_2	115.2 (6)	O3_6—C4_6—C3_6	107.0 (5)
C7_2—O4_2—Zn2_2	110.3 (4)	O3_6—C4_6—H41_6	110.3
C6_2—O4_2—Zn2_2	111.7 (4)	C3_6—C4_6—H41_6	110.3
C9_2—O5_2—C8_2	117.3 (5)	O3_6—C4_6—H42_6	110.3
C9_2—O5_2—Zn2_2	120.7 (4)	C3_6—C4_6—H42_6	110.3
C8_2—O5_2—Zn2_2	121.7 (3)	H41_6—C4_6—H42_6	108.6
O1_2—C1_2—C2_2	106.9 (6)	O3_6—C5_6—C6_6	106.6 (6)
O1_2—C1_2—H11_2	110.3	O3_6—C5_6—H51_6	110.4
C2_2—C1_2—H11_2	110.3	C6_6—C5_6—H51_6	110.4
O1_2—C1_2—H12_2	110.3	O3_6—C5_6—H52_6	110.4
C2_2—C1_2—H12_2	110.3	C6_6—C5_6—H52_6	110.4
H11_2—C1_2—H12_2	108.6	H51_6—C5_6—H52_6	108.6
O2_2—C2_2—C1_2	106.5 (5)	O4_6—C6_6—C5_6	109.0 (6)
O2_2—C2_2—H21_2	110.4	O4_6—C6_6—H61_6	109.9
C1_2—C2_2—H21_2	110.4	C5_6—C6_6—H61_6	109.9
O2_2—C2_2—H22_2	110.4	O4_6—C6_6—H62_6	109.9
C1_2—C2_2—H22_2	110.4	C5_6—C6_6—H62_6	109.9
H21_2—C2_2—H22_2	108.6	H61_6—C6_6—H62_6	108.3
O2_2—C3_2—C4_2	106.5 (5)	O4_6—C7_6—C8_6	108.1 (6)
O2_2—C3_2—H31_2	110.4	O4_6—C7_6—H71_6	110.1
C4_2—C3_2—H31_2	110.4	C8_6—C7_6—H71_6	110.1
O2_2—C3_2—H32_2	110.4	O4_6—C7_6—H72_6	110.1
C4_2—C3_2—H32_2	110.4	C8_6—C7_6—H72_6	110.1
H31_2—C3_2—H32_2	108.6	H71_6—C7_6—H72_6	108.4
O3_2—C4_2—C3_2	106.6 (5)	O5_6—C8_6—C7_6	108.4 (6)
O3_2—C4_2—H41_2	110.4	O5_6—C8_6—H81_6	110.0
C3_2—C4_2—H41_2	110.4	C7_6—C8_6—H81_6	110.0
O3_2—C4_2—H42_2	110.4	O5_6—C8_6—H82_6	110.0
C3_2—C4_2—H42_2	110.4	C7_6—C8_6—H82_6	110.0
H41_2—C4_2—H42_2	108.6	H81_6—C8_6—H82_6	108.4
O3_2—C5_2—C6_2	107.7 (6)	O5_6—C9_6—C10_6	107.2 (5)
O3_2—C5_2—H51_2	110.2	O5_6—C9_6—H91_6	110.3
C6_2—C5_2—H51_2	110.2	C10_6—C9_6—H91_6	110.3
O3_2—C5_2—H52_2	110.2	O5_6—C9_6—H92_6	110.3
C6_2—C5_2—H52_2	110.2	C10_6—C9_6—H92_6	110.3
H51_2—C5_2—H52_2	108.5	H91_6—C9_6—H92_6	108.5
O4_2—C6_2—C5_2	106.2 (6)	O1_6—C10_6—C9_6	106.0 (5)
O4_2—C6_2—H61_2	110.5	O1_6—C10_6—H101_6	110.5
C5_2—C6_2—H61_2	110.5	C9_6—C10_6—H101_6	110.5
O4_2—C6_2—H62_2	110.5	O1_6—C10_6—H102_6	110.5
C5_2—C6_2—H62_2	110.5	C9_6—C10_6—H102_6	110.5
H61_2—C6_2—H62_2	108.7	H101_6—C10_6—H102_6	108.7
O4_2—C7_2—C8_2	108.2 (6)	Zn7_7—O6_7—Zn10_10	4.97 (10)
O4_2—C7_2—H71_2	110.1	Zn7_7—O6_7—H1W_7	114 (4)
C8_2—C7_2—H71_2	110.1	Zn10_10—O6_7—H1W_7	109 (4)
O4_2—C7_2—H72_2	110.0	Zn7_7—O6_7—H2W_7	127 (4)
C8_2—C7_2—H72_2	110.0	Zn10_10—O6_7—H2W_7	130 (4)
H71_2—C7_2—H72_2	108.4	H1W_7—O6_7—H2W_7	106 (2)
O5_2—C8_2—C7_2	106.6 (6)	Zn10_10—O7_7—Zn7_7	5.02 (9)
O5_2—C8_2—H81_2	110.4	Zn10_10—O7_7—H3W_7	130 (5)
C7_2—C8_2—H81_2	110.4	Zn7_7—O7_7—H3W_7	125 (5)
O5_2—C8_2—H82_2	110.4	Zn10_10—O7_7—H4W_7	111 (5)
C7_2—C8_2—H82_2	110.4	Zn7_7—O7_7—H4W_7	116 (5)
H81_2—C8_2—H82_2	108.6	H3W_7—O7_7—H4W_7	107 (2)
O5_2—C9_2—C10_2	106.6 (5)	O6_7—Zn7_7—O7_7	177.6 (3)
O5_2—C9_2—H91_2	110.4	O6_7—Zn7_7—O5_7	90.1 (2)
C10_2—C9_2—H91_2	110.4	O7_7—Zn7_7—O5_7	88.4 (2)
O5_2—C9_2—H92_2	110.4	O6_7—Zn7_7—O2_7	95.7 (2)
C10_2—C9_2—H92_2	110.4	O7_7—Zn7_7—O2_7	84.4 (2)
H91_2—C9_2—H92_2	108.6	O5_7—Zn7_7—O2_7	143.3 (2)
O1_2—C10_2—C9_2	106.2 (5)	O6_7—Zn7_7—O3_7	85.5 (2)
O1_2—C10_2—H101_2	110.5	O7_7—Zn7_7—O3_7	96.9 (2)
C9_2—C10_2—H101_2	110.5	O5_7—Zn7_7—O3_7	143.6 (2)
O1_2—C10_2—H102_2	110.5	O2_7—Zn7_7—O3_7	73.1 (2)
C9_2—C10_2—H102_2	110.5	O6_7—Zn7_7—O4_7	92.8 (3)
H101_2—C10_2—H102_2	108.7	O7_7—Zn7_7—O4_7	88.5 (2)
Zn3_3—O6_3—Zn9_9	4.89 (9)	O5_7—Zn7_7—O4_7	70.78 (19)
Zn3_3—O6_3—H1W_3	122 (5)	O2_7—Zn7_7—O4_7	144.6 (2)
Zn9_9—O6_3—H1W_3	117 (5)	O3_7—Zn7_7—O4_7	73.4 (2)
Zn3_3—O6_3—H2W_3	123 (5)	O6_7—Zn7_7—O1_7	85.1 (2)
Zn9_9—O6_3—H2W_3	127 (5)	O7_7—Zn7_7—O1_7	92.6 (2)
H1W_3—O6_3—H2W_3	109 (3)	O5_7—Zn7_7—O1_7	71.08 (18)
Zn9_9—O7_3—Zn3_3	5.23 (9)	O2_7—Zn7_7—O1_7	73.31 (19)
Zn9_9—O7_3—H3W_3	135 (5)	O3_7—Zn7_7—O1_7	144.0 (2)
Zn3_3—O7_3—H3W_3	130 (5)	O4_7—Zn7_7—O1_7	141.79 (19)
Zn9_9—O7_3—H4W_3	117 (5)	C1_7—O1_7—C10_7	113.4 (6)
Zn3_3—O7_3—H4W_3	123 (5)	C1_7—O1_7—Zn7_7	109.7 (4)
H3W_3—O7_3—H4W_3	106 (2)	C10_7—O1_7—Zn7_7	111.1 (4)
O6_3—Zn3_3—O7_3	176.9 (3)	C3_7—O2_7—C2_7	114.5 (6)
O6_3—Zn3_3—O5_3	89.3 (2)	C3_7—O2_7—Zn7_7	115.7 (5)
O7_3—Zn3_3—O5_3	87.6 (2)	C2_7—O2_7—Zn7_7	115.0 (5)
O6_3—Zn3_3—O2_3	99.6 (2)	C5_7—O3_7—C4_7	114.4 (6)
O7_3—Zn3_3—O2_3	82.9 (2)	C5_7—O3_7—Zn7_7	114.3 (4)
O5_3—Zn3_3—O2_3	143.0 (2)	C4_7—O3_7—Zn7_7	113.3 (5)
O6_3—Zn3_3—O3_3	86.1 (2)	C7_7—O4_7—C6_7	115.3 (7)
O7_3—Zn3_3—O3_3	96.4 (2)	C7_7—O4_7—Zn7_7	110.5 (5)
O5_3—Zn3_3—O3_3	143.9 (2)	C6_7—O4_7—Zn7_7	111.0 (5)
O2_3—Zn3_3—O3_3	72.88 (19)	C8_7—O5_7—C9_7	118.5 (6)
O6_3—Zn3_3—O1_3	88.0 (2)	C8_7—O5_7—Zn7_7	121.2 (4)
O7_3—Zn3_3—O1_3	90.9 (2)	C9_7—O5_7—Zn7_7	119.6 (4)
O5_3—Zn3_3—O1_3	71.11 (18)	O1_7—C1_7—C2_7	107.8 (7)
O2_3—Zn3_3—O1_3	73.38 (18)	O1_7—C1_7—H11_7	110.1
O3_3—Zn3_3—O1_3	144.23 (19)	C2_7—C1_7—H11_7	110.2
O6_3—Zn3_3—O4_3	91.4 (3)	O1_7—C1_7—H12_7	110.2
O7_3—Zn3_3—O4_3	87.6 (2)	C2_7—C1_7—H12_7	110.1
O5_3—Zn3_3—O4_3	70.78 (19)	H11_7—C1_7—H12_7	108.5
O2_3—Zn3_3—O4_3	143.8 (2)	H6A_10—C1_7—H6B_10	87.0
O3_3—Zn3_3—O4_3	73.59 (19)	O2_7—C2_7—C1_7	105.3 (6)
O1_3—Zn3_3—O4_3	141.89 (19)	O2_7—C2_7—H21_7	110.7
C10_3—O1_3—C1_3	113.2 (6)	C1_7—C2_7—H21_7	110.7
C10_3—O1_3—Zn3_3	112.0 (4)	O2_7—C2_7—H22_7	110.7
C1_3—O1_3—Zn3_3	110.8 (4)	C1_7—C2_7—H22_7	110.7
C2_3—O2_3—C3_3	113.4 (6)	H21_7—C2_7—H22_7	108.8
C2_3—O2_3—Zn3_3	114.1 (5)	O2_7—C3_7—C4_7	105.0 (6)
C3_3—O2_3—Zn3_3	115.7 (5)	O2_7—C3_7—H31_7	110.8
C5_3—O3_3—C4_3	114.7 (6)	C4_7—C3_7—H31_7	110.8
C5_3—O3_3—Zn3_3	112.7 (4)	O2_7—C3_7—H32_7	110.8
C4_3—O3_3—Zn3_3	113.5 (4)	C4_7—C3_7—H32_7	110.8
C7_3—O4_3—C6_3	115.9 (7)	H31_7—C3_7—H32_7	108.8
C7_3—O4_3—Zn3_3	111.2 (5)	H8A_10—C3_7—H8B_10	107.3
C6_3—O4_3—Zn3_3	111.3 (5)	O3_7—C4_7—C3_7	107.4 (6)
C9_3—O5_3—C8_3	118.4 (5)	O3_7—C4_7—H41_7	110.2
C9_3—O5_3—Zn3_3	120.2 (4)	C3_7—C4_7—H41_7	110.2
C8_3—O5_3—Zn3_3	120.3 (4)	O3_7—C4_7—H42_7	110.2
O1_3—C1_3—C2_3	107.1 (7)	C3_7—C4_7—H42_7	110.2
O1_3—C1_3—H11_3	110.3	H41_7—C4_7—H42_7	108.5
C2_3—C1_3—H11_3	110.3	H9A_10—C4_7—H9B_10	102.0
O1_3—C1_3—H12_3	110.3	O3_7—C5_7—C6_7	106.8 (7)
C2_3—C1_3—H12_3	110.3	O3_7—C5_7—H51_7	110.4
H11_3—C1_3—H12_3	108.5	C6_7—C5_7—H51_7	110.4
H6A_9—C1_3—H6B_9	84.7	O3_7—C5_7—H52_7	110.4
O2_3—C2_3—C1_3	105.9 (6)	C6_7—C5_7—H52_7	110.4
O2_3—C2_3—H21_3	110.6	H51_7—C5_7—H52_7	108.6
C1_3—C2_3—H21_3	110.6	O4_7—C6_7—C5_7	106.4 (7)
O2_3—C2_3—H22_3	110.6	O4_7—C6_7—H61_7	110.4
C1_3—C2_3—H22_3	110.6	C5_7—C6_7—H61_7	110.4
H21_3—C2_3—H22_3	108.7	O4_7—C6_7—H62_7	110.4
O2_3—C3_3—C4_3	105.4 (6)	C5_7—C6_7—H62_7	110.4
O2_3—C3_3—H31_3	110.7	H61_7—C6_7—H62_7	108.6
C4_3—C3_3—H31_3	110.7	H1A_10—C6_7—H1B_10	85.5
O2_3—C3_3—H32_3	110.7	O4_7—C7_7—C8_7	108.1 (7)
C4_3—C3_3—H32_3	110.7	O4_7—C7_7—H71_7	110.1
H31_3—C3_3—H32_3	108.8	C8_7—C7_7—H71_7	110.1
H8A_9—C3_3—H8B_9	101.2	O4_7—C7_7—H72_7	110.1
O3_3—C4_3—C3_3	108.2 (6)	C8_7—C7_7—H72_7	110.1
O3_3—C4_3—H41_3	110.1	H71_7—C7_7—H72_7	108.4
C3_3—C4_3—H41_3	110.1	O5_7—C8_7—C7_7	107.8 (7)
O3_3—C4_3—H42_3	110.1	O5_7—C8_7—H81_7	110.1
C3_3—C4_3—H42_3	110.1	C7_7—C8_7—H81_7	110.1
H41_3—C4_3—H42_3	108.4	O5_7—C8_7—H82_7	110.1
H9A_9—C4_3—H9B_9	107.5	C7_7—C8_7—H82_7	110.1
O3_3—C5_3—C6_3	106.7 (7)	H81_7—C8_7—H82_7	108.5
O3_3—C5_3—H51_3	110.4	H3A_10—C8_7—H3B_10	82.7
C6_3—C5_3—H51_3	110.4	O5_7—C9_7—C10_7	107.6 (6)
O3_3—C5_3—H52_3	110.4	O5_7—C9_7—H91_7	110.2
C6_3—C5_3—H52_3	110.4	C10_7—C9_7—H91_7	110.2
H51_3—C5_3—H52_3	108.6	O5_7—C9_7—H92_7	110.2
O4_3—C6_3—C5_3	108.8 (7)	C10_7—C9_7—H92_7	110.2
O4_3—C6_3—H61_3	109.9	H91_7—C9_7—H92_7	108.5
C5_3—C6_3—H61_3	109.9	H4A_10—C9_7—H4B_10	87.1
O4_3—C6_3—H62_3	109.9	O1_7—C10_7—C9_7	104.8 (6)
C5_3—C6_3—H62_3	109.9	O1_7—C10_7—H101_7	110.8
H61_3—C6_3—H62_3	108.3	C9_7—C10_7—H101_7	110.8
H1A_9—C6_3—H1B_9	90.4	O1_7—C10_7—H102_7	110.8
O4_3—C7_3—C8_3	107.9 (7)	C9_7—C10_7—H102_7	110.8
O4_3—C7_3—H71_3	110.1	H101_7—C10_7—H102_7	108.9
C8_3—C7_3—H71_3	110.1	O7_7—Zn10_10—O6_7	171.1 (3)
O4_3—C7_3—H72_3	110.1	O7_7—Zn10_10—O5_10	85.5 (3)
C8_3—C7_3—H72_3	110.1	O6_7—Zn10_10—O5_10	86.0 (2)
H71_3—C7_3—H72_3	108.4	O7_7—Zn10_10—O2_10	99.9 (3)
O5_3—C8_3—C7_3	109.1 (6)	O6_7—Zn10_10—O2_10	88.4 (3)
O5_3—C8_3—H81_3	109.9	O5_10—Zn10_10—O2_10	143.4
C7_3—C8_3—H81_3	109.9	O7_7—Zn10_10—O3_10	88.0 (3)
O5_3—C8_3—H82_3	109.9	O6_7—Zn10_10—O3_10	97.3 (2)
C7_3—C8_3—H82_3	109.9	O5_10—Zn10_10—O3_10	143.6
H81_3—C8_3—H82_3	108.3	O2_10—Zn10_10—O3_10	73.0
H3A_9—C8_3—H3B_9	76.3	O7_7—Zn10_10—O4_10	88.7 (3)
O5_3—C9_3—C10_3	106.4 (6)	O6_7—Zn10_10—O4_10	86.2 (3)
O5_3—C9_3—H91_3	110.4	O5_10—Zn10_10—O4_10	71.6
C10_3—C9_3—H91_3	110.4	O2_10—Zn10_10—O4_10	144.1
O5_3—C9_3—H92_3	110.4	O3_10—Zn10_10—O4_10	72.5
C10_3—C9_3—H92_3	110.4	O7_7—Zn10_10—O1_10	89.6 (3)
H91_3—C9_3—H92_3	108.6	O6_7—Zn10_10—O1_10	90.3 (3)
H4A_9—C9_3—H4B_9	84.9	O5_10—Zn10_10—O1_10	71.4
O1_3—C10_3—C9_3	105.8 (6)	O2_10—Zn10_10—O1_10	72.5
O1_3—C10_3—H101_3	110.6	O3_10—Zn10_10—O1_10	144.4
C9_3—C10_3—H101_3	110.6	O4_10—Zn10_10—O1_10	142.9
O1_3—C10_3—H102_3	110.6	C10_10—O1_10—C1_10	114.7
C9_3—C10_3—H102_3	110.6	C10_10—O1_10—Zn10_10	112.0
H101_3—C10_3—H102_3	108.7	C1_10—O1_10—Zn10_10	113.1
O7_3—Zn9_9—O5_9	85.4 (3)	C3_10—O2_10—C2_10	113.0
O7_3—Zn9_9—O6_3	173.0 (3)	C3_10—O2_10—Zn10_10	116.6
O5_9—Zn9_9—O6_3	87.7 (2)	C2_10—O2_10—Zn10_10	118.2
O7_3—Zn9_9—O2_9	97.9 (3)	C4_10—O3_10—C5_10	114.4
O5_9—Zn9_9—O2_9	143.8	C4_10—O3_10—Zn10_10	115.1
O6_3—Zn9_9—O2_9	86.8 (3)	C5_10—O3_10—Zn10_10	114.2
O7_3—Zn9_9—O3_9	89.8 (3)	C7_10—O4_10—C6_10	113.4
O5_9—Zn9_9—O3_9	143.4	C7_10—O4_10—Zn10_10	112.9
O6_3—Zn9_9—O3_9	96.7 (2)	C6_10—O4_10—Zn10_10	114.1
O2_9—Zn9_9—O3_9	72.8	C9_10—O5_10—C8_10	115.9
O7_3—Zn9_9—O1_9	86.6 (3)	C9_10—O5_10—Zn10_10	121.8
O5_9—Zn9_9—O1_9	72.5	C8_10—O5_10—Zn10_10	122.1
O6_3—Zn9_9—O1_9	89.8 (3)	O1_10—C1_10—C2_10	106.0
O2_9—Zn9_9—O1_9	71.8	O1_10—C1_10—H1A_10	110.9
O3_9—Zn9_9—O1_9	143.5	C2_10—C1_10—H1A_10	110.3
O7_3—Zn9_9—O4_9	90.8 (3)	O1_10—C1_10—H1B_10	109.9
O5_9—Zn9_9—O4_9	71.8	C2_10—C1_10—H1B_10	110.5
O6_3—Zn9_9—O4_9	88.5 (3)	H1A_10—C1_10—H1B_10	109.2
O2_9—Zn9_9—O4_9	143.7	O2_10—C2_10—C1_10	105.4
O3_9—Zn9_9—O4_9	72.0	O2_10—C2_10—H2A_10	110.8
O1_9—Zn9_9—O4_9	144.3	C1_10—C2_10—H2A_10	110.6
C1_9—O1_9—C10_9	112.8	O2_10—C2_10—H2B_10	111.3
C1_9—O1_9—Zn9_9	114.4	C1_10—C2_10—H2B_10	110.5
C10_9—O1_9—Zn9_9	112.1	H2A_10—C2_10—H2B_10	108.2
C3_9—O2_9—C2_9	116.1	O2_10—C3_10—C4_10	105.7
C3_9—O2_9—Zn9_9	115.9	O2_10—C3_10—H3A_10	110.4
C2_9—O2_9—Zn9_9	116.8	C4_10—C3_10—H3A_10	111.1
C5_9—O3_9—C4_9	114.3	O2_10—C3_10—H3B_10	110.5
C5_9—O3_9—Zn9_9	115.4	C4_10—C3_10—H3B_10	110.8
C4_9—O3_9—Zn9_9	114.7	H3A_10—C3_10—H3B_10	108.3
C6_9—O4_9—C7_9	116.3	O3_10—C4_10—C3_10	105.9
C6_9—O4_9—Zn9_9	115.2	O3_10—C4_10—H4A_10	110.2
C7_9—O4_9—Zn9_9	111.3	C3_10—C4_10—H4A_10	111.1
C9_9—O5_9—C8_9	118.0	O3_10—C4_10—H4B_10	110.5
C9_9—O5_9—Zn9_9	120.4	C3_10—C4_10—H4B_10	110.6
C8_9—O5_9—Zn9_9	121.5	H4A_10—C4_10—H4B_10	108.5
O1_9—C1_9—C2_9	107.0	O3_10—C5_10—C6_10	105.0
O1_9—C1_9—H1A_9	109.7	O3_10—C5_10—H5A_10	110.9
C2_9—C1_9—H1A_9	110.3	C6_10—C5_10—H5A_10	110.7
O1_9—C1_9—H1B_9	110.8	O3_10—C5_10—H5B_10	111.3
C2_9—C1_9—H1B_9	110.0	C6_10—C5_10—H5B_10	110.5
H1A_9—C1_9—H1B_9	109.0	H5A_10—C5_10—H5B_10	108.5
C1_9—C2_9—O2_9	105.8	O4_10—C6_10—C5_10	106.6
C1_9—C2_9—H2A_9	110.5	O4_10—C6_10—H6A_10	110.7
O2_9—C2_9—H2A_9	111.1	C5_10—C6_10—H6A_10	110.3
C1_9—C2_9—H2B_9	110.5	O4_10—C6_10—H6B_10	110.0
O2_9—C2_9—H2B_9	110.8	C5_10—C6_10—H6B_10	110.1
H2A_9—C2_9—H2B_9	108.1	H6A_10—C6_10—H6B_10	109.1
O2_9—C3_9—C4_9	105.6	O4_10—C7_10—C8_10	106.5
O2_9—C3_9—H3A_9	110.5	O4_10—C7_10—H7A_10	110.3
C4_9—C3_9—H3A_9	110.9	C8_10—C7_10—H7A_10	109.9
O2_9—C3_9—H3B_9	110.5	O4_10—C7_10—H7B_10	110.1
C4_9—C3_9—H3B_9	111.0	C8_10—C7_10—H7B_10	110.8
H3A_9—C3_9—H3B_9	108.3	H7A_10—C7_10—H7B_10	109.3
O3_9—C4_9—C3_9	106.5	O5_10—C8_10—C7_10	107.4
O3_9—C4_9—H4A_9	110.4	O5_10—C8_10—H8A_10	111.0
C3_9—C4_9—H4A_9	110.6	C7_10—C8_10—H8A_10	109.6
O3_9—C4_9—H4B_9	110.1	O5_10—C8_10—H8B_10	109.6
C3_9—C4_9—H4B_9	110.9	C7_10—C8_10—H8B_10	110.6
H4A_9—C4_9—H4B_9	108.5	H8A_10—C8_10—H8B_10	108.7
O3_9—C5_9—C6_9	106.2	O5_10—C9_10—C10_10	106.4
O3_9—C5_9—H5A_9	111.0	O5_10—C9_10—H9A_10	111.1
C6_9—C5_9—H5A_9	110.2	C10_10—C9_10—H9A_10	109.8
O3_9—C5_9—H5B_9	110.7	O5_10—C9_10—H9B_10	109.9
C6_9—C5_9—H5B_9	110.4	C10_10—C9_10—H9B_10	110.7
H5A_9—C5_9—H5B_9	108.3	H9A_10—C9_10—H9B_10	109.0
O4_9—C6_9—C5_9	106.3	O1_10—C10_10—C9_10	107.1
O4_9—C6_9—H6A_9	110.1	O1_10—C10_10—H10A_10	110.4
C5_9—C6_9—H6A_9	110.2	C9_10—C10_10—H10A_10	109.6
O4_9—C6_9—H6B_9	110.8	O1_10—C10_10—H10B_10	109.8
C5_9—C6_9—H6B_9	110.4	C9_10—C10_10—H10B_10	110.7
H6A_9—C6_9—H6B_9	109.0	H10A_10—C10_10—H10B_10	109.1
O4_9—C7_9—C8_9	108.6	Zn8_8—O6_8—H1W_8	122 (4)
O4_9—C7_9—H7A_9	109.7	Zn8_8—O6_8—H2W_8	132 (4)
C8_9—C7_9—H7A_9	110.4	H1W_8—O6_8—H2W_8	106 (2)
O4_9—C7_9—H7B_9	109.8	Zn8_8—O7_8—H3W_8	123 (5)
C8_9—C7_9—H7B_9	109.5	Zn8_8—O7_8—H4W_8	123 (5)
H7A_9—C7_9—H7B_9	108.9	H3W_8—O7_8—H4W_8	104 (2)
O5_9—C8_9—C7_9	107.6	O6_8—Zn8_8—O7_8	178.3 (2)
O5_9—C8_9—H8A_9	109.6	O6_8—Zn8_8—O5_8	88.9 (2)
C7_9—C8_9—H8A_9	110.5	O7_8—Zn8_8—O5_8	89.5 (2)
O5_9—C8_9—H8B_9	110.9	O6_8—Zn8_8—O2_8	97.0 (2)
C7_9—C8_9—H8B_9	109.6	O7_8—Zn8_8—O2_8	84.2 (2)
H8A_9—C8_9—H8B_9	108.6	O5_8—Zn8_8—O2_8	143.68 (16)
O5_9—C9_9—C10_9	107.6	O6_8—Zn8_8—O3_8	85.0 (2)
O5_9—C9_9—H9A_9	109.6	O7_8—Zn8_8—O3_8	96.5 (2)
C10_9—C9_9—H9A_9	110.5	O5_8—Zn8_8—O3_8	143.66 (18)
O5_9—C9_9—H9B_9	110.8	O2_8—Zn8_8—O3_8	72.66 (16)
C10_9—C9_9—H9B_9	109.5	O6_8—Zn8_8—O4_8	91.2 (3)
H9A_9—C9_9—H9B_9	108.8	O7_8—Zn8_8—O4_8	88.5 (2)
O1_9—C10_9—C9_9	104.8	O5_8—Zn8_8—O4_8	70.43 (15)
O1_9—C10_9—H10A_9	110.4	O2_8—Zn8_8—O4_8	144.67 (15)
C9_9—C10_9—H10A_9	111.3	O3_8—Zn8_8—O4_8	73.93 (16)
O1_9—C10_9—H10B_9	110.9	O6_8—Zn8_8—O1_8	87.6 (2)
C9_9—C10_9—H10B_9	110.1	O7_8—Zn8_8—O1_8	91.7 (2)
H10A_9—C10_9—H10B_9	109.4	O5_8—Zn8_8—O1_8	72.09 (15)
Zn4_4—O6_4—H1W_4	117 (5)	O2_8—Zn8_8—O1_8	72.39 (15)
Zn4_4—O6_4—H2W_4	117 (5)	O3_8—Zn8_8—O1_8	143.01 (16)
H1W_4—O6_4—H2W_4	105 (2)	O4_8—Zn8_8—O1_8	142.52 (16)
Zn4_4—O7_4—H3W_4	129 (5)	C1_8—O1_8—C10_8	114.5 (5)
Zn4_4—O7_4—H4W_4	122 (5)	C1_8—O1_8—Zn8_8	111.8 (4)
H3W_4—O7_4—H4W_4	109 (3)	C10_8—O1_8—Zn8_8	110.0 (3)
O7_4—Zn4_4—O6_4	177.1 (3)	C2_8—O2_8—C3_8	114.8 (5)
O7_4—Zn4_4—O5_4	88.5 (2)	C2_8—O2_8—Zn8_8	115.8 (4)
O6_4—Zn4_4—O5_4	89.4 (2)	C3_8—O2_8—Zn8_8	114.9 (4)
O7_4—Zn4_4—O2_4	84.6 (2)	C4_8—O3_8—C5_8	114.4 (5)
O6_4—Zn4_4—O2_4	98.2 (2)	C4_8—O3_8—Zn8_8	114.3 (4)
O5_4—Zn4_4—O2_4	143.48 (17)	C5_8—O3_8—Zn8_8	111.5 (3)
O7_4—Zn4_4—O3_4	95.7 (2)	C7_8—O4_8—C6_8	115.1 (6)
O6_4—Zn4_4—O3_4	84.9 (2)	C7_8—O4_8—Zn8_8	111.5 (4)
O5_4—Zn4_4—O3_4	143.60 (18)	C6_8—O4_8—Zn8_8	110.7 (4)
O2_4—Zn4_4—O3_4	72.88 (16)	C8_8—O5_8—C9_8	116.1 (5)
O7_4—Zn4_4—O1_4	92.0 (2)	C8_8—O5_8—Zn8_8	123.1 (3)
O6_4—Zn4_4—O1_4	89.1 (2)	C9_8—O5_8—Zn8_8	120.4 (4)
O5_4—Zn4_4—O1_4	71.80 (15)	O1_8—C1_8—C2_8	106.9 (6)
O2_4—Zn4_4—O1_4	72.66 (15)	O1_8—C1_8—H11_8	110.3
O3_4—Zn4_4—O1_4	143.74 (16)	C2_8—C1_8—H11_8	110.3
O7_4—Zn4_4—O4_4	87.1 (2)	O1_8—C1_8—H12_8	110.3
O6_4—Zn4_4—O4_4	90.4 (2)	C2_8—C1_8—H12_8	110.3
O5_4—Zn4_4—O4_4	71.51 (16)	H11_8—C1_8—H12_8	108.6
O2_4—Zn4_4—O4_4	143.44 (16)	O2_8—C2_8—C1_8	106.3 (5)
O3_4—Zn4_4—O4_4	72.61 (16)	O2_8—C2_8—H21_8	110.5
O1_4—Zn4_4—O4_4	143.31 (16)	C1_8—C2_8—H21_8	110.5
C10_4—O1_4—C1_4	113.5 (5)	O2_8—C2_8—H22_8	110.5
C10_4—O1_4—Zn4_4	112.5 (3)	C1_8—C2_8—H22_8	110.5
C1_4—O1_4—Zn4_4	113.1 (4)	H21_8—C2_8—H22_8	108.7
C2_4—O2_4—C3_4	114.6 (5)	O2_8—C3_8—C4_8	106.0 (5)
C2_4—O2_4—Zn4_4	115.1 (4)	O2_8—C3_8—H31_8	110.5
C3_4—O2_4—Zn4_4	113.6 (4)	C4_8—C3_8—H31_8	110.5
C4_4—O3_4—C5_4	114.7 (5)	O2_8—C3_8—H32_8	110.5
C4_4—O3_4—Zn4_4	113.7 (4)	C4_8—C3_8—H32_8	110.5
C5_4—O3_4—Zn4_4	114.1 (3)	H31_8—C3_8—H32_8	108.7
C7_4—O4_4—C6_4	115.7 (6)	O3_8—C4_8—C3_8	106.0 (5)
C7_4—O4_4—Zn4_4	111.7 (4)	O3_8—C4_8—H41_8	110.5
C6_4—O4_4—Zn4_4	112.6 (4)	C3_8—C4_8—H41_8	110.5
C9_4—O5_4—C8_4	117.5 (5)	O3_8—C4_8—H42_8	110.5
C9_4—O5_4—Zn4_4	120.3 (4)	C3_8—C4_8—H42_8	110.5
C8_4—O5_4—Zn4_4	121.7 (4)	H41_8—C4_8—H42_8	108.7
O1_4—C1_4—C2_4	106.3 (6)	O3_8—C5_8—C6_8	106.4 (6)
O1_4—C1_4—H11_4	110.5	O3_8—C5_8—H51_8	110.4
C2_4—C1_4—H11_4	110.5	C6_8—C5_8—H51_8	110.4
O1_4—C1_4—H12_4	110.5	O3_8—C5_8—H52_8	110.4
C2_4—C1_4—H12_4	110.5	C6_8—C5_8—H52_8	110.4
H11_4—C1_4—H12_4	108.7	H51_8—C5_8—H52_8	108.6
O2_4—C2_4—C1_4	106.4 (5)	O4_8—C6_8—C5_8	106.7 (6)
O2_4—C2_4—H21_4	110.5	O4_8—C6_8—H61_8	110.4
C1_4—C2_4—H21_4	110.5	C5_8—C6_8—H61_8	110.4
O2_4—C2_4—H22_4	110.5	O4_8—C6_8—H62_8	110.4
C1_4—C2_4—H22_4	110.5	C5_8—C6_8—H62_8	110.4
H21_4—C2_4—H22_4	108.6	H61_8—C6_8—H62_8	108.6
O2_4—C3_4—C4_4	105.8 (5)	O4_8—C7_8—C8_8	107.9 (6)
O2_4—C3_4—H31_4	110.6	O4_8—C7_8—H71_8	110.1
C4_4—C3_4—H31_4	110.6	C8_8—C7_8—H71_8	110.1
O2_4—C3_4—H32_4	110.6	O4_8—C7_8—H72_8	110.1
C4_4—C3_4—H32_4	110.6	C8_8—C7_8—H72_8	110.1
H31_4—C3_4—H32_4	108.7	H71_8—C7_8—H72_8	108.4
O3_4—C4_4—C3_4	105.9 (5)	O5_8—C8_8—C7_8	106.1 (5)
O3_4—C4_4—H41_4	110.6	O5_8—C8_8—H81_8	110.5
C3_4—C4_4—H41_4	110.6	C7_8—C8_8—H81_8	110.5
O3_4—C4_4—H42_4	110.6	O5_8—C8_8—H82_8	110.5
C3_4—C4_4—H42_4	110.6	C7_8—C8_8—H82_8	110.5
H41_4—C4_4—H42_4	108.7	H81_8—C8_8—H82_8	108.7
O3_4—C5_4—C6_4	106.3 (6)	O5_8—C9_8—C10_8	106.7 (5)
O3_4—C5_4—H51_4	110.5	O5_8—C9_8—H91_8	110.4
C6_4—C5_4—H51_4	110.5	C10_8—C9_8—H91_8	110.4
O3_4—C5_4—H52_4	110.5	O5_8—C9_8—H92_8	110.4
C6_4—C5_4—H52_4	110.5	C10_8—C9_8—H92_8	110.4
H51_4—C5_4—H52_4	108.7	H91_8—C9_8—H92_8	108.6
O4_4—C6_4—C5_4	108.7 (6)	O1_8—C10_8—C9_8	107.5 (5)
O4_4—C6_4—H61_4	110.0	O1_8—C10_8—H101_8	110.2
C5_4—C6_4—H61_4	110.0	C9_8—C10_8—H101_8	110.2
O4_4—C6_4—H62_4	110.0	O1_8—C10_8—H102_8	110.2
C5_4—C6_4—H62_4	110.0	C9_8—C10_8—H102_8	110.2
H61_4—C6_4—H62_4	108.3	H101_8—C10_8—H102_8	108.5
O4_4—C7_4—C8_4	109.0 (6)	O8_11—N1_11—O10_11	124.1 (7)
O4_4—C7_4—H71_4	109.9	O8_11—N1_11—O9_11	114.5 (7)
C8_4—C7_4—H71_4	109.9	O10_11—N1_11—O9_11	121.1 (6)
O4_4—C7_4—H72_4	109.9	O10_12—N2_12—O8_12	122.8 (7)
C8_4—C7_4—H72_4	109.9	O10_12—N2_12—O9_12	120.5 (6)
H71_4—C7_4—H72_4	108.3	O8_12—N2_12—O9_12	116.6 (6)
O5_4—C8_4—C7_4	107.9 (5)	O9_13—N3_13—O10_13	121.2 (6)
O5_4—C8_4—H81_4	110.1	O9_13—N3_13—O8_13	114.4 (6)
C7_4—C8_4—H81_4	110.1	O10_13—N3_13—O8_13	123.8 (7)
O5_4—C8_4—H82_4	110.1	O8_14—N4_14—O10_14	127.8 (7)
C7_4—C8_4—H82_4	110.1	O8_14—N4_14—O9_14	114.0 (7)
H81_4—C8_4—H82_4	108.4	O10_14—N4_14—O9_14	117.9 (6)
O5_4—C9_4—C10_4	106.8 (5)	O10_15—N5_15—O9_15	122.5 (6)
O5_4—C9_4—H91_4	110.4	O10_15—N5_15—O8_15	120.3 (7)
C10_4—C9_4—H91_4	110.4	O9_15—N5_15—O8_15	117.0 (6)
O5_4—C9_4—H92_4	110.4	O8_16—N6_16—O10_16	124.4 (7)
C10_4—C9_4—H92_4	110.4	O8_16—N6_16—O9_16	113.6 (6)
H91_4—C9_4—H92_4	108.6	O10_16—N6_16—O9_16	121.7 (6)
O1_4—C10_4—C9_4	106.0 (5)	O10_17—N7_17—O8_17	126.5 (7)
O1_4—C10_4—H101_4	110.5	O10_17—N7_17—O9_17	119.4 (6)
C9_4—C10_4—H101_4	110.5	O8_17—N7_17—O9_17	114.0 (6)
O1_4—C10_4—H102_4	110.5	O10_18—N8_18—O9_18	121.7 (6)
C9_4—C10_4—H102_4	110.5	O10_18—N8_18—O8_18	123.0 (7)
H101_4—C10_4—H102_4	108.7	O9_18—N8_18—O8_18	114.6 (6)
Zn5_5—O6_5—H1W_5	117 (4)	O10_19—N9_19—O8_19	125.0 (7)
Zn5_5—O6_5—H2W_5	131 (4)	O10_19—N9_19—O9_19	116.1 (6)
H1W_5—O6_5—H2W_5	107 (3)	O8_19—N9_19—O9_19	118.9 (6)
Zn5_5—O7_5—H3W_5	121 (5)	O8_20—N10_20—O9_20	121.4 (7)
Zn5_5—O7_5—H4W_5	104 (5)	O8_20—N10_20—O10_20	119.8 (7)
H3W_5—O7_5—H4W_5	106 (2)	O9_20—N10_20—O10_20	118.7 (6)
O6_5—Zn5_5—O7_5	178.2 (2)	O8_21—N11_21—O10_21	122.4 (7)
O6_5—Zn5_5—O5_5	89.6 (2)	O8_21—N11_21—O9_21	121.7 (6)
O7_5—Zn5_5—O5_5	89.3 (2)	O10_21—N11_21—O9_21	115.9 (6)
O6_5—Zn5_5—O2_5	96.7 (2)	O8_22—N12_22—O9_22	120.4 (6)
O7_5—Zn5_5—O2_5	83.4 (2)	O8_22—N12_22—O10_22	122.5 (7)
O5_5—Zn5_5—O2_5	143.28 (16)	O9_22—N12_22—O10_22	117.0 (6)
O6_5—Zn5_5—O3_5	85.5 (2)	O8_23—N13_23—O10_23	122.3 (7)
O7_5—Zn5_5—O3_5	96.2 (2)	O8_23—N13_23—O9_23	121.9 (6)
O5_5—Zn5_5—O3_5	143.56 (17)	O10_23—N13_23—O9_23	115.8 (6)
O2_5—Zn5_5—O3_5	73.15 (16)	O8_24—N14_24—O10_24	122.6 (7)
O6_5—Zn5_5—O4_5	92.6 (2)	O8_24—N14_24—O9_24	121.1 (6)
O7_5—Zn5_5—O4_5	88.4 (2)	O10_24—N14_24—O9_24	116.3 (6)
O5_5—Zn5_5—O4_5	70.22 (15)	O8_25—N15_25—O9_25	122.0 (7)
O2_5—Zn5_5—O4_5	144.92 (15)	O8_25—N15_25—O10_25	118.5 (7)
O3_5—Zn5_5—O4_5	73.94 (16)	O9_25—N15_25—O10_25	119.4 (6)
O6_5—Zn5_5—O1_5	87.5 (2)	O8_26—N16_26—O10_26	121.2 (7)
O7_5—Zn5_5—O1_5	90.8 (2)	O8_26—N16_26—O9_26	122.5 (7)
O5_5—Zn5_5—O1_5	71.36 (14)	O10_26—N16_26—O9_26	116.2 (6)
O7_1—Zn1_1—O1_1—C10_1	63.3 (4)	O6_5—Zn5_5—O1_5—C1_5	−115.3 (4)
O6_1—Zn1_1—O1_1—C10_1	−114.5 (4)	O7_5—Zn5_5—O1_5—C1_5	65.4 (5)
O5_1—Zn1_1—O1_1—C10_1	−25.5 (4)	O5_5—Zn5_5—O1_5—C1_5	154.3 (5)
O2_1—Zn1_1—O1_1—C10_1	146.8 (5)	O2_5—Zn5_5—O1_5—C1_5	−17.5 (4)
O3_1—Zn1_1—O1_1—C10_1	164.7 (4)	O3_5—Zn5_5—O1_5—C1_5	−36.4 (6)
O4_1—Zn1_1—O1_1—C10_1	−23.9 (6)	O4_5—Zn5_5—O1_5—C1_5	153.7 (4)
O7_1—Zn1_1—O1_1—C1_1	−66.7 (4)	O6_5—Zn5_5—O1_5—C10_5	117.9 (4)
O6_1—Zn1_1—O1_1—C1_1	115.6 (4)	O7_5—Zn5_5—O1_5—C10_5	−61.5 (4)
O5_1—Zn1_1—O1_1—C1_1	−155.5 (5)	O5_5—Zn5_5—O1_5—C10_5	27.5 (4)
O2_1—Zn1_1—O1_1—C1_1	16.8 (4)	O2_5—Zn5_5—O1_5—C10_5	−144.4 (5)
O3_1—Zn1_1—O1_1—C1_1	34.7 (6)	O3_5—Zn5_5—O1_5—C10_5	−163.3 (4)
O4_1—Zn1_1—O1_1—C1_1	−153.9 (5)	O4_5—Zn5_5—O1_5—C10_5	26.9 (6)
O7_1—Zn1_1—O2_1—C3_1	−116.0 (5)	O6_5—Zn5_5—O2_5—C2_5	70.0 (5)
O6_1—Zn1_1—O2_1—C3_1	64.4 (5)	O7_5—Zn5_5—O2_5—C2_5	−108.2 (5)
O5_1—Zn1_1—O2_1—C3_1	163.3 (4)	O5_5—Zn5_5—O2_5—C2_5	−28.3 (6)
O3_1—Zn1_1—O2_1—C3_1	−18.3 (4)	O3_5—Zn5_5—O2_5—C2_5	153.2 (5)
O1_1—Zn1_1—O2_1—C3_1	150.9 (5)	O4_5—Zn5_5—O2_5—C2_5	174.1 (5)
O4_1—Zn1_1—O2_1—C3_1	−38.6 (6)	O1_5—Zn5_5—O2_5—C2_5	−15.3 (5)
O7_1—Zn1_1—O2_1—C2_1	108.5 (5)	O6_5—Zn5_5—O2_5—C3_5	−66.3 (4)
O6_1—Zn1_1—O2_1—C2_1	−71.2 (5)	O7_5—Zn5_5—O2_5—C3_5	115.5 (5)
O5_1—Zn1_1—O2_1—C2_1	27.8 (7)	O5_5—Zn5_5—O2_5—C3_5	−164.5 (4)
O3_1—Zn1_1—O2_1—C2_1	−153.9 (5)	O3_5—Zn5_5—O2_5—C3_5	17.0 (4)
O1_1—Zn1_1—O2_1—C2_1	15.3 (5)	O4_5—Zn5_5—O2_5—C3_5	37.9 (6)
O4_1—Zn1_1—O2_1—C2_1	−174.2 (5)	O1_5—Zn5_5—O2_5—C3_5	−151.6 (5)
O7_1—Zn1_1—O3_1—C5_1	−65.3 (5)	O6_5—Zn5_5—O3_5—C4_5	113.8 (5)
O6_1—Zn1_1—O3_1—C5_1	112.7 (5)	O7_5—Zn5_5—O3_5—C4_5	−65.8 (5)
O5_1—Zn1_1—O3_1—C5_1	31.0 (7)	O5_5—Zn5_5—O3_5—C4_5	−163.0 (4)
O2_1—Zn1_1—O3_1—C5_1	−147.4 (5)	O2_5—Zn5_5—O3_5—C4_5	15.4 (4)
O1_1—Zn1_1—O3_1—C5_1	−165.3 (5)	O4_5—Zn5_5—O3_5—C4_5	−152.3 (5)
O4_1—Zn1_1—O3_1—C5_1	20.1 (5)	O1_5—Zn5_5—O3_5—C4_5	34.3 (6)
O7_1—Zn1_1—O3_1—C4_1	66.9 (5)	O6_5—Zn5_5—O3_5—C5_5	−113.7 (5)
O6_1—Zn1_1—O3_1—C4_1	−115.1 (5)	O7_5—Zn5_5—O3_5—C5_5	66.8 (5)
O5_1—Zn1_1—O3_1—C4_1	163.2 (4)	O5_5—Zn5_5—O3_5—C5_5	−30.5 (7)
O2_1—Zn1_1—O3_1—C4_1	−15.2 (4)	O2_5—Zn5_5—O3_5—C5_5	148.0 (5)
O1_1—Zn1_1—O3_1—C4_1	−33.2 (6)	O4_5—Zn5_5—O3_5—C5_5	−19.7 (5)
O4_1—Zn1_1—O3_1—C4_1	152.3 (5)	O1_5—Zn5_5—O3_5—C5_5	166.9 (5)
O7_1—Zn1_1—O4_1—C6_1	108.3 (5)	O6_5—Zn5_5—O4_5—C7_5	−59.4 (5)
O6_1—Zn1_1—O4_1—C6_1	−73.3 (5)	O7_5—Zn5_5—O4_5—C7_5	119.0 (5)
O5_1—Zn1_1—O4_1—C6_1	−161.5 (6)	O5_5—Zn5_5—O4_5—C7_5	29.2 (5)
O2_1—Zn1_1—O4_1—C6_1	32.0 (7)	O2_5—Zn5_5—O4_5—C7_5	−164.9 (5)
O3_1—Zn1_1—O4_1—C6_1	11.6 (5)	O3_5—Zn5_5—O4_5—C7_5	−144.1 (5)
O1_1—Zn1_1—O4_1—C6_1	−163.1 (5)	O1_5—Zn5_5—O4_5—C7_5	29.8 (6)
O7_1—Zn1_1—O4_1—C7_1	−118.1 (5)	O6_5—Zn5_5—O4_5—C6_5	72.0 (5)
O6_1—Zn1_1—O4_1—C7_1	60.4 (5)	O7_5—Zn5_5—O4_5—C6_5	−109.6 (5)
O5_1—Zn1_1—O4_1—C7_1	−27.9 (5)	O5_5—Zn5_5—O4_5—C6_5	160.6 (5)
O2_1—Zn1_1—O4_1—C7_1	165.6 (4)	O2_5—Zn5_5—O4_5—C6_5	−33.4 (7)
O3_1—Zn1_1—O4_1—C7_1	145.3 (5)	O3_5—Zn5_5—O4_5—C6_5	−12.6 (5)
O1_1—Zn1_1—O4_1—C7_1	−29.5 (6)	O1_5—Zn5_5—O4_5—C6_5	161.2 (5)
O7_1—Zn1_1—O5_1—C8_1	92.0 (6)	O6_5—Zn5_5—O5_5—C9_5	−83.6 (5)
O6_1—Zn1_1—O5_1—C8_1	−87.0 (6)	O7_5—Zn5_5—O5_5—C9_5	95.1 (5)
O2_1—Zn1_1—O5_1—C8_1	171.0 (5)	O2_5—Zn5_5—O5_5—C9_5	17.0 (7)
O3_1—Zn1_1—O5_1—C8_1	−6.4 (7)	O3_5—Zn5_5—O5_5—C9_5	−165.4 (4)
O1_1—Zn1_1—O5_1—C8_1	−176.4 (6)	O4_5—Zn5_5—O5_5—C9_5	−176.4 (5)
O4_1—Zn1_1—O5_1—C8_1	4.7 (5)	O1_5—Zn5_5—O5_5—C9_5	3.9 (5)
O7_1—Zn1_1—O5_1—C9_1	−94.2 (5)	O6_5—Zn5_5—O5_5—C8_5	89.0 (6)
O6_1—Zn1_1—O5_1—C9_1	86.9 (5)	O7_5—Zn5_5—O5_5—C8_5	−92.3 (6)
O2_1—Zn1_1—O5_1—C9_1	−15.1 (7)	O2_5—Zn5_5—O5_5—C8_5	−170.4 (5)
O3_1—Zn1_1—O5_1—C9_1	167.5 (4)	O3_5—Zn5_5—O5_5—C8_5	7.2 (7)
O1_1—Zn1_1—O5_1—C9_1	−2.5 (5)	O4_5—Zn5_5—O5_5—C8_5	−3.8 (5)
O4_1—Zn1_1—O5_1—C9_1	178.5 (5)	O1_5—Zn5_5—O5_5—C8_5	176.5 (6)
C10_1—O1_1—C1_1—C2_1	−173.4 (5)	C10_5—O1_5—C1_5—C2_5	170.2 (5)
Zn1_1—O1_1—C1_1—C2_1	−44.1 (6)	Zn5_5—O1_5—C1_5—C2_5	45.8 (6)
C3_1—O2_1—C2_1—C1_1	−179.2 (6)	C3_5—O2_5—C2_5—C1_5	179.0 (6)
Zn1_1—O2_1—C2_1—C1_1	−43.6 (8)	Zn5_5—O2_5—C2_5—C1_5	43.3 (7)
O1_1—C1_1—C2_1—O2_1	56.0 (8)	O1_5—C1_5—C2_5—O2_5	−57.7 (8)
C2_1—O2_1—C3_1—C4_1	−178.2 (6)	C2_5—O2_5—C3_5—C4_5	179.2 (6)
Zn1_1—O2_1—C3_1—C4_1	46.2 (7)	Zn5_5—O2_5—C3_5—C4_5	−44.3 (7)
C5_1—O3_1—C4_1—C3_1	174.9 (6)	C5_5—O3_5—C4_5—C3_5	−173.9 (6)
Zn1_1—O3_1—C4_1—C3_1	43.1 (6)	Zn5_5—O3_5—C4_5—C3_5	−43.1 (6)
O2_1—C3_1—C4_1—O3_1	−56.5 (7)	O2_5—C3_5—C4_5—O3_5	55.5 (7)
C4_1—O3_1—C5_1—C6_1	−178.7 (6)	C4_5—O3_5—C5_5—C6_5	−178.7 (6)
Zn1_1—O3_1—C5_1—C6_1	−46.6 (7)	Zn5_5—O3_5—C5_5—C6_5	49.1 (7)
C7_1—O4_1—C6_1—C5_1	−171.5 (7)	C7_5—O4_5—C6_5—C5_5	170.6 (7)
Zn1_1—O4_1—C6_1—C5_1	−40.3 (8)	Zn5_5—O4_5—C6_5—C5_5	41.8 (8)
O3_1—C5_1—C6_1—O4_1	56.5 (8)	O3_5—C5_5—C6_5—O4_5	−59.8 (8)
C6_1—O4_1—C7_1—C8_1	177.7 (6)	C6_5—O4_5—C7_5—C8_5	−177.8 (6)
Zn1_1—O4_1—C7_1—C8_1	46.2 (8)	Zn5_5—O4_5—C7_5—C8_5	−49.3 (7)
C9_1—O5_1—C8_1—C7_1	−156.0 (7)	C9_5—O5_5—C8_5—C7_5	152.8 (7)
Zn1_1—O5_1—C8_1—C7_1	18.0 (9)	Zn5_5—O5_5—C8_5—C7_5	−20.0 (9)
O4_1—C7_1—C8_1—O5_1	−40.9 (9)	O4_5—C7_5—C8_5—O5_5	44.1 (9)
C8_1—O5_1—C9_1—C10_1	−157.2 (6)	C8_5—O5_5—C9_5—C10_5	154.7 (6)
Zn1_1—O5_1—C9_1—C10_1	28.7 (7)	Zn5_5—O5_5—C9_5—C10_5	−32.3 (7)
C1_1—O1_1—C10_1—C9_1	177.7 (5)	C1_5—O1_5—C10_5—C9_5	−177.0 (5)
Zn1_1—O1_1—C10_1—C9_1	48.2 (6)	Zn5_5—O1_5—C10_5—C9_5	−52.1 (6)
O5_1—C9_1—C10_1—O1_1	−47.9 (7)	O5_5—C9_5—C10_5—O1_5	53.8 (7)
O6_2—Zn2_2—O1_2—C10_2	118.3 (4)	O7_6—Zn6_6—O1_6—C10_6	62.8 (5)
O7_2—Zn2_2—O1_2—C10_2	−62.0 (5)	O6_6—Zn6_6—O1_6—C10_6	−114.7 (5)
O5_2—Zn2_2—O1_2—C10_2	26.9 (4)	O5_6—Zn6_6—O1_6—C10_6	−26.0 (4)
O2_2—Zn2_2—O1_2—C10_2	−145.1 (5)	O2_6—Zn6_6—O1_6—C10_6	146.0 (5)
O3_2—Zn2_2—O1_2—C10_2	−164.4 (4)	O3_6—Zn6_6—O1_6—C10_6	164.5 (4)
O4_2—Zn2_2—O1_2—C10_2	27.3 (6)	O4_6—Zn6_6—O1_6—C10_6	−24.4 (6)
O6_2—Zn2_2—O1_2—C1_2	−115.4 (5)	O7_6—Zn6_6—O1_6—C1_6	−65.6 (5)
O7_2—Zn2_2—O1_2—C1_2	64.3 (4)	O6_6—Zn6_6—O1_6—C1_6	116.9 (5)
O5_2—Zn2_2—O1_2—C1_2	153.1 (5)	O5_6—Zn6_6—O1_6—C1_6	−154.4 (5)
O2_2—Zn2_2—O1_2—C1_2	−18.8 (4)	O2_6—Zn6_6—O1_6—C1_6	17.6 (4)
O3_2—Zn2_2—O1_2—C1_2	−38.2 (6)	O3_6—Zn6_6—O1_6—C1_6	36.1 (6)
O4_2—Zn2_2—O1_2—C1_2	153.5 (5)	O4_6—Zn6_6—O1_6—C1_6	−152.8 (5)
O6_2—Zn2_2—O2_2—C2_2	70.6 (5)	O7_6—Zn6_6—O2_6—C3_6	−115.3 (5)
O7_2—Zn2_2—O2_2—C2_2	−108.1 (5)	O6_6—Zn6_6—O2_6—C3_6	65.3 (5)
O5_2—Zn2_2—O2_2—C2_2	−27.4 (7)	O5_6—Zn6_6—O2_6—C3_6	164.5 (5)
O3_2—Zn2_2—O2_2—C2_2	153.6 (5)	O3_6—Zn6_6—O2_6—C3_6	−17.2 (5)
O4_2—Zn2_2—O2_2—C2_2	173.4 (5)	O1_6—Zn6_6—O2_6—C3_6	151.6 (5)
O1_2—Zn2_2—O2_2—C2_2	−14.6 (5)	O4_6—Zn6_6—O2_6—C3_6	−38.1 (6)
O6_2—Zn2_2—O2_2—C3_2	−67.3 (5)	O7_6—Zn6_6—O2_6—C2_6	107.6 (5)
O7_2—Zn2_2—O2_2—C3_2	114.0 (5)	O6_6—Zn6_6—O2_6—C2_6	−71.8 (5)
O5_2—Zn2_2—O2_2—C3_2	−165.3 (5)	O5_6—Zn6_6—O2_6—C2_6	27.4 (7)
O3_2—Zn2_2—O2_2—C3_2	15.7 (5)	O3_6—Zn6_6—O2_6—C2_6	−154.4 (5)
O4_2—Zn2_2—O2_2—C3_2	35.6 (6)	O1_6—Zn6_6—O2_6—C2_6	14.4 (5)
O1_2—Zn2_2—O2_2—C3_2	−152.5 (5)	O4_6—Zn6_6—O2_6—C2_6	−175.2 (5)
O6_2—Zn2_2—O3_2—C5_2	−112.2 (5)	O7_6—Zn6_6—O3_6—C5_6	−66.2 (6)
O7_2—Zn2_2—O3_2—C5_2	68.8 (6)	O6_6—Zn6_6—O3_6—C5_6	111.7 (6)
O5_2—Zn2_2—O3_2—C5_2	−28.5 (7)	O5_6—Zn6_6—O3_6—C5_6	30.4 (7)
O2_2—Zn2_2—O3_2—C5_2	150.5 (5)	O2_6—Zn6_6—O3_6—C5_6	−147.9 (6)
O4_2—Zn2_2—O3_2—C5_2	−17.5 (5)	O1_6—Zn6_6—O3_6—C5_6	−166.4 (5)
O1_2—Zn2_2—O3_2—C5_2	169.9 (5)	O4_6—Zn6_6—O3_6—C5_6	19.2 (5)
O6_2—Zn2_2—O3_2—C4_2	113.5 (5)	O7_6—Zn6_6—O3_6—C4_6	66.5 (5)
O7_2—Zn2_2—O3_2—C4_2	−65.4 (5)	O6_6—Zn6_6—O3_6—C4_6	−115.7 (5)
O5_2—Zn2_2—O3_2—C4_2	−162.8 (5)	O5_6—Zn6_6—O3_6—C4_6	163.1 (5)
O2_2—Zn2_2—O3_2—C4_2	16.2 (4)	O2_6—Zn6_6—O3_6—C4_6	−15.2 (4)
O4_2—Zn2_2—O3_2—C4_2	−151.8 (5)	O1_6—Zn6_6—O3_6—C4_6	−33.8 (6)
O1_2—Zn2_2—O3_2—C4_2	35.6 (6)	O4_6—Zn6_6—O3_6—C4_6	151.9 (5)
O6_2—Zn2_2—O4_2—C7_2	−60.7 (5)	O7_6—Zn6_6—O4_6—C6_6	109.2 (6)
O7_2—Zn2_2—O4_2—C7_2	118.6 (5)	O6_6—Zn6_6—O4_6—C6_6	−72.7 (6)
O5_2—Zn2_2—O4_2—C7_2	28.6 (5)	O5_6—Zn6_6—O4_6—C6_6	−160.7 (6)
O2_2—Zn2_2—O4_2—C7_2	−164.4 (5)	O2_6—Zn6_6—O4_6—C6_6	33.1 (7)
O3_2—Zn2_2—O4_2—C7_2	−144.6 (5)	O3_6—Zn6_6—O4_6—C6_6	12.3 (5)
O1_2—Zn2_2—O4_2—C7_2	28.2 (6)	O1_6—Zn6_6—O4_6—C6_6	−162.3 (5)
O6_2—Zn2_2—O4_2—C6_2	68.7 (5)	O7_6—Zn6_6—O4_6—C7_6	−118.8 (5)
O7_2—Zn2_2—O4_2—C6_2	−112.0 (5)	O6_6—Zn6_6—O4_6—C7_6	59.2 (5)
O5_2—Zn2_2—O4_2—C6_2	158.1 (6)	O5_6—Zn6_6—O4_6—C7_6	−28.7 (4)
O2_2—Zn2_2—O4_2—C6_2	−34.9 (7)	O2_6—Zn6_6—O4_6—C7_6	165.1 (4)
O3_2—Zn2_2—O4_2—C6_2	−15.1 (5)	O3_6—Zn6_6—O4_6—C7_6	144.3 (5)
O1_2—Zn2_2—O4_2—C6_2	157.7 (5)	O1_6—Zn6_6—O4_6—C7_6	−30.3 (6)
O6_2—Zn2_2—O5_2—C9_2	−83.1 (5)	O7_6—Zn6_6—O5_6—C8_6	91.6 (6)
O7_2—Zn2_2—O5_2—C9_2	95.4 (5)	O6_6—Zn6_6—O5_6—C8_6	−87.5 (6)
O2_2—Zn2_2—O5_2—C9_2	16.5 (7)	O2_6—Zn6_6—O5_6—C8_6	170.0 (5)
O3_2—Zn2_2—O5_2—C9_2	−165.1 (5)	O3_6—Zn6_6—O5_6—C8_6	−7.2 (7)
O4_2—Zn2_2—O5_2—C9_2	−176.2 (6)	O1_6—Zn6_6—O5_6—C8_6	−176.9 (6)
O1_2—Zn2_2—O5_2—C9_2	3.6 (5)	O4_6—Zn6_6—O5_6—C8_6	4.1 (6)
O6_2—Zn2_2—O5_2—C8_2	91.0 (6)	O7_6—Zn6_6—O5_6—C9_6	−94.5 (5)
O7_2—Zn2_2—O5_2—C8_2	−90.5 (6)	O6_6—Zn6_6—O5_6—C9_6	86.4 (5)
O2_2—Zn2_2—O5_2—C8_2	−169.4 (5)	O2_6—Zn6_6—O5_6—C9_6	−16.0 (7)
O3_2—Zn2_2—O5_2—C8_2	9.0 (7)	O3_6—Zn6_6—O5_6—C9_6	166.7 (5)
O4_2—Zn2_2—O5_2—C8_2	−2.1 (5)	O1_6—Zn6_6—O5_6—C9_6	−2.9 (5)
O1_2—Zn2_2—O5_2—C8_2	177.7 (6)	O4_6—Zn6_6—O5_6—C9_6	178.1 (5)
C10_2—O1_2—C1_2—C2_2	170.7 (6)	C10_6—O1_6—C1_6—C2_6	−173.1 (6)
Zn2_2—O1_2—C1_2—C2_2	47.1 (6)	Zn6_6—O1_6—C1_6—C2_6	−45.1 (7)
C3_2—O2_2—C2_2—C1_2	−179.1 (7)	C3_6—O2_6—C2_6—C1_6	−179.9 (7)
Zn2_2—O2_2—C2_2—C1_2	43.7 (8)	Zn6_6—O2_6—C2_6—C1_6	−43.1 (8)
O1_2—C1_2—C2_2—O2_2	−59.6 (8)	O1_6—C1_6—C2_6—O2_6	57.0 (8)
C2_2—O2_2—C3_2—C4_2	−179.8 (7)	C2_6—O2_6—C3_6—C4_6	−179.0 (7)
Zn2_2—O2_2—C3_2—C4_2	−42.6 (7)	Zn6_6—O2_6—C3_6—C4_6	44.7 (7)
C5_2—O3_2—C4_2—C3_2	−175.8 (6)	C5_6—O3_6—C4_6—C3_6	174.9 (6)
Zn2_2—O3_2—C4_2—C3_2	−43.0 (7)	Zn6_6—O3_6—C4_6—C3_6	43.0 (7)
O2_2—C3_2—C4_2—O3_2	54.4 (8)	O2_6—C3_6—C4_6—O3_6	−55.9 (8)
C4_2—O3_2—C5_2—C6_2	−179.5 (6)	C4_6—O3_6—C5_6—C6_6	−177.4 (6)
Zn2_2—O3_2—C5_2—C6_2	46.7 (8)	Zn6_6—O3_6—C5_6—C6_6	−45.5 (8)
C7_2—O4_2—C6_2—C5_2	170.2 (7)	C7_6—O4_6—C6_6—C5_6	−169.6 (7)
Zn2_2—O4_2—C6_2—C5_2	43.4 (8)	Zn6_6—O4_6—C6_6—C5_6	−40.2 (8)
O3_2—C5_2—C6_2—O4_2	−59.0 (8)	O3_6—C5_6—C6_6—O4_6	56.1 (9)
C6_2—O4_2—C7_2—C8_2	−177.9 (6)	C6_6—O4_6—C7_6—C8_6	178.8 (7)
Zn2_2—O4_2—C7_2—C8_2	−50.4 (8)	Zn6_6—O4_6—C7_6—C8_6	48.6 (7)
C9_2—O5_2—C8_2—C7_2	151.2 (7)	C9_6—O5_6—C8_6—C7_6	−154.0 (7)
Zn2_2—O5_2—C8_2—C7_2	−23.1 (9)	Zn6_6—O5_6—C8_6—C7_6	20.1 (9)
O4_2—C7_2—C8_2—O5_2	46.8 (9)	O4_6—C7_6—C8_6—O5_6	−43.8 (9)
C8_2—O5_2—C9_2—C10_2	154.6 (6)	C8_6—O5_6—C9_6—C10_6	−156.5 (7)
Zn2_2—O5_2—C9_2—C10_2	−31.0 (7)	Zn6_6—O5_6—C9_6—C10_6	29.4 (7)
C1_2—O1_2—C10_2—C9_2	−174.4 (6)	C1_6—O1_6—C10_6—C9_6	176.7 (6)
Zn2_2—O1_2—C10_2—C9_2	−50.7 (6)	Zn6_6—O1_6—C10_6—C9_6	48.9 (6)
O5_2—C9_2—C10_2—O1_2	52.4 (7)	O5_6—C9_6—C10_6—O1_6	−48.9 (7)
Zn9_9—O6_3—Zn3_3—O7_3	−7 (6)	Zn10_10—O6_7—Zn7_7—O7_7	−55 (7)
Zn9_9—O6_3—Zn3_3—O5_3	−8.8 (14)	Zn10_10—O6_7—Zn7_7—O5_7	−3.7 (14)
Zn9_9—O6_3—Zn3_3—O2_3	135.1 (14)	Zn10_10—O6_7—Zn7_7—O2_7	−147.4 (15)
Zn9_9—O6_3—Zn3_3—O3_3	−153.0 (14)	Zn10_10—O6_7—Zn7_7—O3_7	140.1 (15)
Zn9_9—O6_3—Zn3_3—O1_3	62.3 (14)	Zn10_10—O6_7—Zn7_7—O4_7	67.1 (15)
Zn9_9—O6_3—Zn3_3—O4_3	−79.6 (14)	Zn10_10—O6_7—Zn7_7—O1_7	−74.7 (15)
Zn9_9—O7_3—Zn3_3—O6_3	7 (6)	Zn10_10—O7_7—Zn7_7—O6_7	56 (7)
Zn9_9—O7_3—Zn3_3—O5_3	9.0 (14)	Zn10_10—O7_7—Zn7_7—O5_7	4.5 (14)
Zn9_9—O7_3—Zn3_3—O2_3	−135.1 (14)	Zn10_10—O7_7—Zn7_7—O2_7	148.4 (15)
Zn9_9—O7_3—Zn3_3—O3_3	153.1 (15)	Zn10_10—O7_7—Zn7_7—O3_7	−139.4 (15)
Zn9_9—O7_3—Zn3_3—O1_3	−62.0 (14)	Zn10_10—O7_7—Zn7_7—O4_7	−66.3 (15)
Zn9_9—O7_3—Zn3_3—O4_3	79.9 (14)	Zn10_10—O7_7—Zn7_7—O1_7	75.5 (15)
O6_3—Zn3_3—O1_3—C10_3	−115.4 (5)	O6_7—Zn7_7—O1_7—C1_7	−115.7 (5)
O7_3—Zn3_3—O1_3—C10_3	61.7 (5)	O7_7—Zn7_7—O1_7—C1_7	65.1 (5)
O5_3—Zn3_3—O1_3—C10_3	−25.5 (5)	O5_7—Zn7_7—O1_7—C1_7	152.6 (5)
O2_3—Zn3_3—O1_3—C10_3	144.0 (5)	O2_7—Zn7_7—O1_7—C1_7	−18.3 (5)
O3_3—Zn3_3—O1_3—C10_3	163.9 (5)	O3_7—Zn7_7—O1_7—C1_7	−40.3 (7)
O4_3—Zn3_3—O1_3—C10_3	−25.6 (7)	O4_7—Zn7_7—O1_7—C1_7	156.0 (5)
O6_3—Zn3_3—O1_3—C1_3	117.1 (5)	O6_7—Zn7_7—O1_7—C10_7	118.1 (5)
O7_3—Zn3_3—O1_3—C1_3	−65.8 (5)	O7_7—Zn7_7—O1_7—C10_7	−61.1 (5)
O5_3—Zn3_3—O1_3—C1_3	−153.0 (5)	O5_7—Zn7_7—O1_7—C10_7	26.4 (5)
O2_3—Zn3_3—O1_3—C1_3	16.5 (5)	O2_7—Zn7_7—O1_7—C10_7	−144.4 (5)
O3_3—Zn3_3—O1_3—C1_3	36.5 (7)	O3_7—Zn7_7—O1_7—C10_7	−166.5 (5)
O4_3—Zn3_3—O1_3—C1_3	−153.0 (5)	O4_7—Zn7_7—O1_7—C10_7	29.8 (7)
O6_3—Zn3_3—O2_3—C2_3	−68.5 (6)	O6_7—Zn7_7—O2_7—C3_7	−68.8 (5)
O7_3—Zn3_3—O2_3—C2_3	109.6 (6)	O7_7—Zn7_7—O2_7—C3_7	113.6 (6)
O5_3—Zn3_3—O2_3—C2_3	33.2 (7)	O5_7—Zn7_7—O2_7—C3_7	−166.6 (5)
O3_3—Zn3_3—O2_3—C2_3	−151.4 (6)	O3_7—Zn7_7—O2_7—C3_7	14.7 (5)
O1_3—Zn3_3—O2_3—C2_3	16.6 (6)	O4_7—Zn7_7—O2_7—C3_7	34.2 (7)
O4_3—Zn3_3—O2_3—C2_3	−174.3 (6)	O1_7—Zn7_7—O2_7—C3_7	−151.9 (6)
O6_3—Zn3_3—O2_3—C3_3	65.7 (5)	O6_7—Zn7_7—O2_7—C2_7	68.2 (6)
O7_3—Zn3_3—O2_3—C3_3	−116.2 (6)	O7_7—Zn7_7—O2_7—C2_7	−109.3 (6)
O5_3—Zn3_3—O2_3—C3_3	167.4 (5)	O5_7—Zn7_7—O2_7—C2_7	−29.6 (8)
O3_3—Zn3_3—O2_3—C3_3	−17.2 (5)	O3_7—Zn7_7—O2_7—C2_7	151.7 (6)
O1_3—Zn3_3—O2_3—C3_3	150.8 (6)	O4_7—Zn7_7—O2_7—C2_7	171.2 (6)
O4_3—Zn3_3—O2_3—C3_3	−40.1 (7)	O1_7—Zn7_7—O2_7—C2_7	−14.9 (6)
O6_3—Zn3_3—O3_3—C5_3	112.1 (6)	O6_7—Zn7_7—O3_7—C5_7	−111.7 (6)
O7_3—Zn3_3—O3_3—C5_3	−66.2 (6)	O7_7—Zn7_7—O3_7—C5_7	68.9 (6)
O5_3—Zn3_3—O3_3—C5_3	28.7 (8)	O5_7—Zn7_7—O3_7—C5_7	−27.8 (8)
O2_3—Zn3_3—O3_3—C5_3	−146.7 (6)	O2_7—Zn7_7—O3_7—C5_7	150.9 (7)
O1_3—Zn3_3—O3_3—C5_3	−166.7 (6)	O4_7—Zn7_7—O3_7—C5_7	−17.4 (6)
O4_3—Zn3_3—O3_3—C5_3	19.4 (6)	O1_7—Zn7_7—O3_7—C5_7	173.0 (6)
O6_3—Zn3_3—O3_3—C4_3	−115.3 (5)	O6_7—Zn7_7—O3_7—C4_7	114.8 (5)
O7_3—Zn3_3—O3_3—C4_3	66.4 (5)	O7_7—Zn7_7—O3_7—C4_7	−64.5 (5)
O5_3—Zn3_3—O3_3—C4_3	161.2 (5)	O5_7—Zn7_7—O3_7—C4_7	−161.2 (5)
O2_3—Zn3_3—O3_3—C4_3	−14.1 (5)	O2_7—Zn7_7—O3_7—C4_7	17.5 (5)
O1_3—Zn3_3—O3_3—C4_3	−34.1 (7)	O4_7—Zn7_7—O3_7—C4_7	−150.9 (6)
O4_3—Zn3_3—O3_3—C4_3	152.0 (5)	O1_7—Zn7_7—O3_7—C4_7	39.5 (7)
O6_3—Zn3_3—O4_3—C7_3	57.7 (5)	O6_7—Zn7_7—O4_7—C7_7	−60.3 (6)
O7_3—Zn3_3—O4_3—C7_3	−119.3 (5)	O7_7—Zn7_7—O4_7—C7_7	117.7 (5)
O5_3—Zn3_3—O4_3—C7_3	−31.0 (5)	O5_7—Zn7_7—O4_7—C7_7	28.8 (5)
O2_3—Zn3_3—O4_3—C7_3	166.1 (5)	O2_7—Zn7_7—O4_7—C7_7	−164.2 (5)
O3_3—Zn3_3—O4_3—C7_3	143.3 (6)	O3_7—Zn7_7—O4_7—C7_7	−144.7 (6)
O1_3—Zn3_3—O4_3—C7_3	−31.0 (7)	O1_7—Zn7_7—O4_7—C7_7	25.4 (7)
O6_3—Zn3_3—O4_3—C6_3	−73.1 (6)	O6_7—Zn7_7—O4_7—C6_7	68.8 (6)
O7_3—Zn3_3—O4_3—C6_3	109.9 (6)	O7_7—Zn7_7—O4_7—C6_7	−113.2 (6)
O5_3—Zn3_3—O4_3—C6_3	−161.8 (6)	O5_7—Zn7_7—O4_7—C6_7	157.9 (6)
O2_3—Zn3_3—O4_3—C6_3	35.3 (8)	O2_7—Zn7_7—O4_7—C6_7	−35.1 (8)
O3_3—Zn3_3—O4_3—C6_3	12.4 (6)	O3_7—Zn7_7—O4_7—C6_7	−15.6 (6)
O1_3—Zn3_3—O4_3—C6_3	−161.8 (6)	O1_7—Zn7_7—O4_7—C6_7	154.5 (6)
O6_3—Zn3_3—O5_3—C9_3	83.3 (6)	O6_7—Zn7_7—O5_7—C8_7	89.9 (7)
O7_3—Zn3_3—O5_3—C9_3	−96.6 (6)	O7_7—Zn7_7—O5_7—C8_7	−92.0 (7)
O2_3—Zn3_3—O5_3—C9_3	−21.8 (8)	O2_7—Zn7_7—O5_7—C8_7	−170.5 (6)
O3_3—Zn3_3—O5_3—C9_3	165.7 (6)	O3_7—Zn7_7—O5_7—C8_7	7.4 (8)
O1_3—Zn3_3—O5_3—C9_3	−4.9 (6)	O4_7—Zn7_7—O5_7—C8_7	−3.1 (6)
O4_3—Zn3_3—O5_3—C9_3	175.0 (6)	O1_7—Zn7_7—O5_7—C8_7	174.7 (7)
O6_3—Zn3_3—O5_3—C8_3	−84.9 (6)	O6_7—Zn7_7—O5_7—C9_7	−80.4 (6)
O7_3—Zn3_3—O5_3—C8_3	95.2 (7)	O7_7—Zn7_7—O5_7—C9_7	97.7 (6)
O2_3—Zn3_3—O5_3—C8_3	170.0 (6)	O2_7—Zn7_7—O5_7—C9_7	19.2 (8)
O3_3—Zn3_3—O5_3—C8_3	−2.5 (8)	O3_7—Zn7_7—O5_7—C9_7	−162.9 (6)
O1_3—Zn3_3—O5_3—C8_3	−173.1 (7)	O4_7—Zn7_7—O5_7—C9_7	−173.3 (6)
O4_3—Zn3_3—O5_3—C8_3	6.9 (6)	O1_7—Zn7_7—O5_7—C9_7	4.4 (6)
C10_3—O1_3—C1_3—C2_3	−171.9 (7)	C10_7—O1_7—C1_7—C2_7	171.9 (7)
Zn3_3—O1_3—C1_3—C2_3	−45.1 (8)	Zn7_7—O1_7—C1_7—C2_7	47.0 (8)
C3_3—O2_3—C2_3—C1_3	179.6 (8)	C3_7—O2_7—C2_7—C1_7	−179.1 (8)
Zn3_3—O2_3—C2_3—C1_3	−45.1 (9)	Zn7_7—O2_7—C2_7—C1_7	43.4 (9)
O1_3—C1_3—C2_3—O2_3	58.7 (10)	O1_7—C1_7—C2_7—O2_7	−59.1 (10)
C2_3—O2_3—C3_3—C4_3	177.6 (8)	C2_7—O2_7—C3_7—C4_7	−178.5 (8)
Zn3_3—O2_3—C3_3—C4_3	43.1 (8)	Zn7_7—O2_7—C3_7—C4_7	−41.3 (8)
C5_3—O3_3—C4_3—C3_3	172.8 (7)	C5_7—O3_7—C4_7—C3_7	−178.1 (7)
Zn3_3—O3_3—C4_3—C3_3	41.2 (8)	Zn7_7—O3_7—C4_7—C3_7	−44.8 (8)
O2_3—C3_3—C4_3—O3_3	−53.4 (9)	O2_7—C3_7—C4_7—O3_7	54.5 (9)
C4_3—O3_3—C5_3—C6_3	−178.6 (7)	C4_7—O3_7—C5_7—C6_7	179.0 (7)
Zn3_3—O3_3—C5_3—C6_3	−46.6 (9)	Zn7_7—O3_7—C5_7—C6_7	46.1 (9)
C7_3—O4_3—C6_3—C5_3	−169.2 (8)	C7_7—O4_7—C6_7—C5_7	170.0 (8)
Zn3_3—O4_3—C6_3—C5_3	−40.8 (9)	Zn7_7—O4_7—C6_7—C5_7	43.4 (9)
O3_3—C5_3—C6_3—O4_3	57.6 (10)	O3_7—C5_7—C6_7—O4_7	−58.2 (10)
C6_3—O4_3—C7_3—C8_3	178.4 (8)	C6_7—O4_7—C7_7—C8_7	−176.8 (8)
Zn3_3—O4_3—C7_3—C8_3	50.0 (9)	Zn7_7—O4_7—C7_7—C8_7	−50.0 (9)
C9_3—O5_3—C8_3—C7_3	−151.4 (8)	C9_7—O5_7—C8_7—C7_7	148.3 (8)
Zn3_3—O5_3—C8_3—C7_3	17.0 (11)	Zn7_7—O5_7—C8_7—C7_7	−22.0 (10)
O4_3—C7_3—C8_3—O5_3	−42.9 (11)	O4_7—C7_7—C8_7—O5_7	46.0 (11)
C8_3—O5_3—C9_3—C10_3	−159.4 (7)	C8_7—O5_7—C9_7—C10_7	156.6 (7)
Zn3_3—O5_3—C9_3—C10_3	32.2 (8)	Zn7_7—O5_7—C9_7—C10_7	−32.9 (8)
C1_3—O1_3—C10_3—C9_3	175.9 (7)	C1_7—O1_7—C10_7—C9_7	−174.7 (7)
Zn3_3—O1_3—C10_3—C9_3	49.7 (7)	Zn7_7—O1_7—C10_7—C9_7	−50.6 (7)
O5_3—C9_3—C10_3—O1_3	−51.2 (8)	O5_7—C9_7—C10_7—O1_7	52.7 (8)
Zn3_3—O7_3—Zn9_9—O5_9	9.9 (14)	Zn7_7—O7_7—Zn10_10—O6_7	−12.6 (19)
Zn3_3—O7_3—Zn9_9—O6_3	−3 (2)	Zn7_7—O7_7—Zn10_10—O5_10	4.8 (15)
Zn3_3—O7_3—Zn9_9—O2_9	−133.9 (14)	Zn7_7—O7_7—Zn10_10—O2_10	148.3 (15)
Zn3_3—O7_3—Zn9_9—O3_9	153.5 (14)	Zn7_7—O7_7—Zn10_10—O3_10	−139.3 (15)
Zn3_3—O7_3—Zn9_9—O1_9	−62.8 (14)	Zn7_7—O7_7—Zn10_10—O4_10	−66.8 (15)
Zn3_3—O7_3—Zn9_9—O4_9	81.5 (14)	Zn7_7—O7_7—Zn10_10—O1_10	76.2 (15)
Zn3_3—O6_3—Zn9_9—O7_3	3 (3)	Zn7_7—O6_7—Zn10_10—O7_7	13 (2)
Zn3_3—O6_3—Zn9_9—O5_9	−9.6 (14)	Zn7_7—O6_7—Zn10_10—O5_10	−4.0 (15)
Zn3_3—O6_3—Zn9_9—O2_9	134.6 (14)	Zn7_7—O6_7—Zn10_10—O2_10	−147.8 (15)
Zn3_3—O6_3—Zn9_9—O3_9	−153.2 (14)	Zn7_7—O6_7—Zn10_10—O3_10	139.6 (15)
Zn3_3—O6_3—Zn9_9—O1_9	62.8 (14)	Zn7_7—O6_7—Zn10_10—O4_10	67.8 (15)
Zn3_3—O6_3—Zn9_9—O4_9	−81.5 (14)	Zn7_7—O6_7—Zn10_10—O1_10	−75.3 (15)
O7_3—Zn9_9—O1_9—C1_9	−117.7 (3)	O7_7—Zn10_10—O1_10—C10_10	−110.6 (3)
O5_9—Zn9_9—O1_9—C1_9	156.0	O6_7—Zn10_10—O1_10—C10_10	60.6 (2)
O6_3—Zn9_9—O1_9—C1_9	68.4 (2)	O5_10—Zn10_10—O1_10—C10_10	−25.2
O2_9—Zn9_9—O1_9—C1_9	−18.3	O2_10—Zn10_10—O1_10—C10_10	148.9
O3_9—Zn9_9—O1_9—C1_9	−32.6	O3_10—Zn10_10—O1_10—C10_10	163.5
O4_9—Zn9_9—O1_9—C1_9	155.6	O4_10—Zn10_10—O1_10—C10_10	−23.4
O7_3—Zn9_9—O1_9—C10_9	112.3 (3)	O7_7—Zn10_10—O1_10—C1_10	118.0 (3)
O5_9—Zn9_9—O1_9—C10_9	26.0	O6_7—Zn10_10—O1_10—C1_10	−70.9 (2)
O6_3—Zn9_9—O1_9—C10_9	−61.7 (2)	O5_10—Zn10_10—O1_10—C1_10	−156.6
O2_9—Zn9_9—O1_9—C10_9	−148.3	O2_10—Zn10_10—O1_10—C1_10	17.4
O3_9—Zn9_9—O1_9—C10_9	−162.7	O3_10—Zn10_10—O1_10—C1_10	32.1
O4_9—Zn9_9—O1_9—C10_9	25.6	O4_10—Zn10_10—O1_10—C1_10	−154.8
O7_3—Zn9_9—O2_9—C3_9	−71.4 (3)	O7_7—Zn10_10—O2_10—C3_10	68.3 (3)
O5_9—Zn9_9—O2_9—C3_9	−164.4	O6_7—Zn10_10—O2_10—C3_10	−114.6 (3)
O6_3—Zn9_9—O2_9—C3_9	114.0 (2)	O5_10—Zn10_10—O2_10—C3_10	164.2
O3_9—Zn9_9—O2_9—C3_9	16.0	O3_10—Zn10_10—O2_10—C3_10	−16.5
O1_9—Zn9_9—O2_9—C3_9	−155.1	O4_10—Zn10_10—O2_10—C3_10	−33.3
O4_9—Zn9_9—O2_9—C3_9	30.9	O1_10—Zn10_10—O2_10—C3_10	154.7
O7_3—Zn9_9—O2_9—C2_9	71.2 (3)	O7_7—Zn10_10—O2_10—C2_10	−71.5 (3)
O5_9—Zn9_9—O2_9—C2_9	−21.8	O6_7—Zn10_10—O2_10—C2_10	105.6 (3)
O6_3—Zn9_9—O2_9—C2_9	−103.4 (3)	O5_10—Zn10_10—O2_10—C2_10	24.4
O3_9—Zn9_9—O2_9—C2_9	158.6	O3_10—Zn10_10—O2_10—C2_10	−156.3
O1_9—Zn9_9—O2_9—C2_9	−12.6	O4_10—Zn10_10—O2_10—C2_10	−173.1
O4_9—Zn9_9—O2_9—C2_9	173.5	O1_10—Zn10_10—O2_10—C2_10	14.8
O7_3—Zn9_9—O3_9—C5_9	−109.9 (3)	O7_7—Zn10_10—O3_10—C4_10	−116.5 (3)
O5_9—Zn9_9—O3_9—C5_9	−27.8	O6_7—Zn10_10—O3_10—C4_10	70.7 (3)
O6_3—Zn9_9—O3_9—C5_9	67.3 (3)	O5_10—Zn10_10—O3_10—C4_10	163.9
O2_9—Zn9_9—O3_9—C5_9	151.8	O2_10—Zn10_10—O3_10—C4_10	−15.5
O1_9—Zn9_9—O3_9—C5_9	166.1	O4_10—Zn10_10—O3_10—C4_10	154.3
O4_9—Zn9_9—O3_9—C5_9	−19.0	O1_10—Zn10_10—O3_10—C4_10	−30.1
O7_3—Zn9_9—O3_9—C4_9	114.2 (3)	O7_7—Zn10_10—O3_10—C5_10	108.2 (3)
O5_9—Zn9_9—O3_9—C4_9	−163.8	O6_7—Zn10_10—O3_10—C5_10	−64.7 (3)
O6_3—Zn9_9—O3_9—C4_9	−68.6 (3)	O5_10—Zn10_10—O3_10—C5_10	28.6
O2_9—Zn9_9—O3_9—C4_9	15.9	O2_10—Zn10_10—O3_10—C5_10	−150.8
O1_9—Zn9_9—O3_9—C4_9	30.1	O4_10—Zn10_10—O3_10—C5_10	18.9
O4_9—Zn9_9—O3_9—C4_9	−154.9	O1_10—Zn10_10—O3_10—C5_10	−165.4
O7_3—Zn9_9—O4_9—C6_9	76.1 (3)	O7_7—Zn10_10—O4_10—C7_10	56.7 (3)
O5_9—Zn9_9—O4_9—C6_9	161.0	O6_7—Zn10_10—O4_10—C7_10	−116.1 (2)
O6_3—Zn9_9—O4_9—C6_9	−110.9 (2)	O5_10—Zn10_10—O4_10—C7_10	−29.0
O2_9—Zn9_9—O4_9—C6_9	−28.4	O2_10—Zn10_10—O4_10—C7_10	161.9
O3_9—Zn9_9—O4_9—C6_9	−13.4	O3_10—Zn10_10—O4_10—C7_10	145.0
O1_9—Zn9_9—O4_9—C6_9	161.5	O1_10—Zn10_10—O4_10—C7_10	−30.8
O7_3—Zn9_9—O4_9—C7_9	−59.1 (3)	O7_7—Zn10_10—O4_10—C6_10	−74.7 (3)
O5_9—Zn9_9—O4_9—C7_9	25.8	O6_7—Zn10_10—O4_10—C6_10	112.5 (2)
O6_3—Zn9_9—O4_9—C7_9	113.9 (2)	O5_10—Zn10_10—O4_10—C6_10	−160.4
O2_9—Zn9_9—O4_9—C7_9	−163.6	O2_10—Zn10_10—O4_10—C6_10	30.5
O3_9—Zn9_9—O4_9—C7_9	−148.6	O3_10—Zn10_10—O4_10—C6_10	13.6
O1_9—Zn9_9—O4_9—C7_9	26.2	O1_10—Zn10_10—O4_10—C6_10	−162.2
O7_3—Zn9_9—O5_9—C9_9	−84.7 (3)	O7_7—Zn10_10—O5_10—C9_10	88.0 (3)
O6_3—Zn9_9—O5_9—C9_9	93.7 (3)	O6_7—Zn10_10—O5_10—C9_10	−94.6 (3)
O2_9—Zn9_9—O5_9—C9_9	12.3	O2_10—Zn10_10—O5_10—C9_10	−12.6
O3_9—Zn9_9—O5_9—C9_9	−168.2	O3_10—Zn10_10—O5_10—C9_10	168.4
O1_9—Zn9_9—O5_9—C9_9	3.1	O4_10—Zn10_10—O5_10—C9_10	178.1
O4_9—Zn9_9—O5_9—C9_9	−177.1	O1_10—Zn10_10—O5_10—C9_10	−3.0
O7_3—Zn9_9—O5_9—C8_9	91.5 (3)	O7_7—Zn10_10—O5_10—C8_10	−87.2 (3)
O6_3—Zn9_9—O5_9—C8_9	−90.1 (3)	O6_7—Zn10_10—O5_10—C8_10	90.2 (3)
O2_9—Zn9_9—O5_9—C8_9	−171.5	O2_10—Zn10_10—O5_10—C8_10	172.2
O3_9—Zn9_9—O5_9—C8_9	8.0	O3_10—Zn10_10—O5_10—C8_10	−6.8
O1_9—Zn9_9—O5_9—C8_9	179.3	O4_10—Zn10_10—O5_10—C8_10	2.9
O4_9—Zn9_9—O5_9—C8_9	−0.9	O1_10—Zn10_10—O5_10—C8_10	−178.2
C10_9—O1_9—C1_9—C2_9	174.8	C10_10—O1_10—C1_10—C2_10	−173.7
Zn9_9—O1_9—C1_9—C2_9	45.1	Zn10_10—O1_10—C1_10—C2_10	−43.6
O1_9—C1_9—C2_9—O2_9	−52.6	C3_10—O2_10—C2_10—C1_10	177.0
C3_9—O2_9—C2_9—C1_9	−178.0	Zn10_10—O2_10—C2_10—C1_10	−41.9
Zn9_9—O2_9—C2_9—C1_9	39.5	O1_10—C1_10—C2_10—O2_10	53.2
C2_9—O2_9—C3_9—C4_9	174.8	C2_10—O2_10—C3_10—C4_10	−175.8
Zn9_9—O2_9—C3_9—C4_9	−42.3	Zn10_10—O2_10—C3_10—C4_10	42.4
C5_9—O3_9—C4_9—C3_9	−178.9	C5_10—O3_10—C4_10—C3_10	176.5
Zn9_9—O3_9—C4_9—C3_9	−42.4	Zn10_10—O3_10—C4_10—C3_10	41.2
O2_9—C3_9—C4_9—O3_9	53.0	O2_10—C3_10—C4_10—O3_10	−52.0
C4_9—O3_9—C5_9—C6_9	−178.8	C4_10—O3_10—C5_10—C6_10	177.5
Zn9_9—O3_9—C5_9—C6_9	45.1	Zn10_10—O3_10—C5_10—C6_10	−46.8
C7_9—O4_9—C6_9—C5_9	172.8	C7_10—O4_10—C6_10—C5_10	−173.9
Zn9_9—O4_9—C6_9—C5_9	39.9	Zn10_10—O4_10—C6_10—C5_10	−42.7
O3_9—C5_9—C6_9—O4_9	−53.7	O3_10—C5_10—C6_10—O4_10	56.3
C6_9—O4_9—C7_9—C8_9	178.7	C6_10—O4_10—C7_10—C8_10	179.4
Zn9_9—O4_9—C7_9—C8_9	−46.6	Zn10_10—O4_10—C7_10—C8_10	47.7
C9_9—O5_9—C8_9—C7_9	153.0	C9_10—O5_10—C8_10—C7_10	−154.9
Zn9_9—O5_9—C8_9—C7_9	−23.3	Zn10_10—O5_10—C8_10—C7_10	20.6
O4_9—C7_9—C8_9—O5_9	44.1	O4_10—C7_10—C8_10—O5_10	−42.7
C8_9—O5_9—C9_9—C10_9	153.8	C8_10—O5_10—C9_10—C10_10	−156.2
Zn9_9—O5_9—C9_9—C10_9	−29.9	Zn10_10—O5_10—C9_10—C10_10	28.3
C1_9—O1_9—C10_9—C9_9	−178.9	C1_10—O1_10—C10_10—C9_10	178.1
Zn9_9—O1_9—C10_9—C9_9	−48.1	Zn10_10—O1_10—C10_10—C9_10	47.4
O5_9—C9_9—C10_9—O1_9	48.6	O5_10—C9_10—C10_10—O1_10	−47.3
O7_4—Zn4_4—O1_4—C10_4	63.0 (5)	O6_8—Zn8_8—O1_8—C1_8	−116.6 (5)
O6_4—Zn4_4—O1_4—C10_4	−114.4 (4)	O7_8—Zn8_8—O1_8—C1_8	64.9 (5)
O5_4—Zn4_4—O1_4—C10_4	−24.8 (4)	O5_8—Zn8_8—O1_8—C1_8	153.8 (5)
O2_4—Zn4_4—O1_4—C10_4	146.7 (5)	O2_8—Zn8_8—O1_8—C1_8	−18.5 (4)
O3_4—Zn4_4—O1_4—C10_4	165.4 (4)	O3_8—Zn8_8—O1_8—C1_8	−38.2 (6)
O4_4—Zn4_4—O1_4—C10_4	−24.9 (6)	O4_8—Zn8_8—O1_8—C1_8	154.6 (5)
O7_4—Zn4_4—O1_4—C1_4	−67.2 (5)	O6_8—Zn8_8—O1_8—C10_8	115.0 (5)
O6_4—Zn4_4—O1_4—C1_4	115.4 (5)	O7_8—Zn8_8—O1_8—C10_8	−63.5 (5)
O5_4—Zn4_4—O1_4—C1_4	−154.9 (5)	O5_8—Zn8_8—O1_8—C10_8	25.4 (4)
O2_4—Zn4_4—O1_4—C1_4	16.6 (4)	O2_8—Zn8_8—O1_8—C10_8	−146.9 (5)
O3_4—Zn4_4—O1_4—C1_4	35.3 (6)	O3_8—Zn8_8—O1_8—C10_8	−166.7 (5)
O4_4—Zn4_4—O1_4—C1_4	−155.0 (5)	O4_8—Zn8_8—O1_8—C10_8	26.2 (6)
O7_4—Zn4_4—O2_4—C2_4	109.8 (5)	O6_8—Zn8_8—O2_8—C2_8	71.0 (5)
O6_4—Zn4_4—O2_4—C2_4	−70.6 (5)	O7_8—Zn8_8—O2_8—C2_8	−107.8 (5)
O5_4—Zn4_4—O2_4—C2_4	29.6 (7)	O5_8—Zn8_8—O2_8—C2_8	−26.6 (7)
O3_4—Zn4_4—O2_4—C2_4	−152.6 (5)	O3_8—Zn8_8—O2_8—C2_8	153.5 (5)
O1_4—Zn4_4—O2_4—C2_4	16.0 (5)	O4_8—Zn8_8—O2_8—C2_8	173.1 (5)
O4_4—Zn4_4—O2_4—C2_4	−172.5 (5)	O1_8—Zn8_8—O2_8—C2_8	−14.2 (5)
O7_4—Zn4_4—O2_4—C3_4	−115.2 (5)	O6_8—Zn8_8—O2_8—C3_8	−66.6 (5)
O6_4—Zn4_4—O2_4—C3_4	64.5 (4)	O7_8—Zn8_8—O2_8—C3_8	114.7 (5)
O5_4—Zn4_4—O2_4—C3_4	164.7 (4)	O5_8—Zn8_8—O2_8—C3_8	−164.2 (5)
O3_4—Zn4_4—O2_4—C3_4	−17.5 (4)	O3_8—Zn8_8—O2_8—C3_8	15.9 (5)
O1_4—Zn4_4—O2_4—C3_4	151.0 (5)	O4_8—Zn8_8—O2_8—C3_8	35.6 (6)
O4_4—Zn4_4—O2_4—C3_4	−37.5 (6)	O1_8—Zn8_8—O2_8—C3_8	−151.7 (5)
O7_4—Zn4_4—O3_4—C4_4	66.6 (5)	O6_8—Zn8_8—O3_8—C4_8	115.8 (5)
O6_4—Zn4_4—O3_4—C4_4	−116.2 (5)	O7_8—Zn8_8—O3_8—C4_8	−65.0 (5)
O5_4—Zn4_4—O3_4—C4_4	161.8 (4)	O5_8—Zn8_8—O3_8—C4_8	−163.1 (5)
O2_4—Zn4_4—O3_4—C4_4	−16.0 (4)	O2_8—Zn8_8—O3_8—C4_8	16.8 (4)
O1_4—Zn4_4—O3_4—C4_4	−34.7 (6)	O4_8—Zn8_8—O3_8—C4_8	−151.5 (5)
O4_4—Zn4_4—O3_4—C4_4	151.7 (5)	O1_8—Zn8_8—O3_8—C4_8	36.6 (6)
O7_4—Zn4_4—O3_4—C5_4	−67.5 (6)	O6_8—Zn8_8—O3_8—C5_8	−112.5 (6)
O6_4—Zn4_4—O3_4—C5_4	109.7 (5)	O7_8—Zn8_8—O3_8—C5_8	66.7 (6)
O5_4—Zn4_4—O3_4—C5_4	27.6 (7)	O5_8—Zn8_8—O3_8—C5_8	−31.3 (7)
O2_4—Zn4_4—O3_4—C5_4	−150.1 (6)	O2_8—Zn8_8—O3_8—C5_8	148.5 (6)
O1_4—Zn4_4—O3_4—C5_4	−168.8 (5)	O4_8—Zn8_8—O3_8—C5_8	−19.8 (5)
O4_4—Zn4_4—O3_4—C5_4	17.6 (5)	O1_8—Zn8_8—O3_8—C5_8	168.3 (5)
O7_4—Zn4_4—O4_4—C7_4	−117.1 (5)	O6_8—Zn8_8—O4_8—C7_8	−58.6 (5)
O6_4—Zn4_4—O4_4—C7_4	61.5 (5)	O7_8—Zn8_8—O4_8—C7_8	119.7 (5)
O5_4—Zn4_4—O4_4—C7_4	−27.7 (5)	O5_8—Zn8_8—O4_8—C7_8	29.7 (5)
O2_4—Zn4_4—O4_4—C7_4	166.0 (5)	O2_8—Zn8_8—O4_8—C7_8	−162.5 (5)
O3_4—Zn4_4—O4_4—C7_4	146.0 (5)	O3_8—Zn8_8—O4_8—C7_8	−143.0 (5)
O1_4—Zn4_4—O4_4—C7_4	−27.6 (7)	O1_8—Zn8_8—O4_8—C7_8	29.0 (6)
O7_4—Zn4_4—O4_4—C6_4	110.8 (6)	O6_8—Zn8_8—O4_8—C6_8	70.8 (5)
O6_4—Zn4_4—O4_4—C6_4	−70.6 (6)	O7_8—Zn8_8—O4_8—C6_8	−110.9 (5)
O5_4—Zn4_4—O4_4—C6_4	−159.8 (6)	O5_8—Zn8_8—O4_8—C6_8	159.1 (6)
O2_4—Zn4_4—O4_4—C6_4	33.9 (7)	O2_8—Zn8_8—O4_8—C6_8	−33.2 (7)
O3_4—Zn4_4—O4_4—C6_4	13.9 (5)	O3_8—Zn8_8—O4_8—C6_8	−13.7 (5)
O1_4—Zn4_4—O4_4—C6_4	−159.7 (5)	O1_8—Zn8_8—O4_8—C6_8	158.3 (5)
O7_4—Zn4_4—O5_4—C9_4	−97.2 (5)	O6_8—Zn8_8—O5_8—C8_8	87.8 (6)
O6_4—Zn4_4—O5_4—C9_4	84.8 (5)	O7_8—Zn8_8—O5_8—C8_8	−92.5 (6)
O2_4—Zn4_4—O5_4—C9_4	−18.3 (7)	O2_8—Zn8_8—O5_8—C8_8	−171.9 (6)
O3_4—Zn4_4—O5_4—C9_4	165.3 (5)	O3_8—Zn8_8—O5_8—C8_8	7.9 (7)
O1_4—Zn4_4—O5_4—C9_4	−4.5 (5)	O4_8—Zn8_8—O5_8—C8_8	−3.9 (6)
O4_4—Zn4_4—O5_4—C9_4	175.4 (5)	O1_8—Zn8_8—O5_8—C8_8	175.6 (6)
O7_4—Zn4_4—O5_4—C8_4	91.2 (6)	O6_8—Zn8_8—O5_8—C9_8	−84.2 (5)
O6_4—Zn4_4—O5_4—C8_4	−86.9 (6)	O7_8—Zn8_8—O5_8—C9_8	95.5 (5)
O2_4—Zn4_4—O5_4—C8_4	170.1 (5)	O2_8—Zn8_8—O5_8—C9_8	16.1 (7)
O3_4—Zn4_4—O5_4—C8_4	−6.3 (7)	O3_8—Zn8_8—O5_8—C9_8	−164.1 (5)
O1_4—Zn4_4—O5_4—C8_4	−176.2 (6)	O4_8—Zn8_8—O5_8—C9_8	−175.9 (5)
O4_4—Zn4_4—O5_4—C8_4	3.8 (5)	O1_8—Zn8_8—O5_8—C9_8	3.6 (5)
C10_4—O1_4—C1_4—C2_4	−173.5 (6)	C10_8—O1_8—C1_8—C2_8	171.6 (6)
Zn4_4—O1_4—C1_4—C2_4	−43.9 (7)	Zn8_8—O1_8—C1_8—C2_8	45.6 (7)
C3_4—O2_4—C2_4—C1_4	−178.4 (6)	C3_8—O2_8—C2_8—C1_8	179.6 (7)
Zn4_4—O2_4—C2_4—C1_4	−43.8 (8)	Zn8_8—O2_8—C2_8—C1_8	42.0 (8)
O1_4—C1_4—C2_4—O2_4	55.8 (8)	O1_8—C1_8—C2_8—O2_8	−56.5 (8)
C2_4—O2_4—C3_4—C4_4	−179.1 (7)	C2_8—O2_8—C3_8—C4_8	178.8 (7)
Zn4_4—O2_4—C3_4—C4_4	45.6 (7)	Zn8_8—O2_8—C3_8—C4_8	−43.2 (7)
C5_4—O3_4—C4_4—C3_4	178.1 (6)	C5_8—O3_8—C4_8—C3_8	−174.2 (6)
Zn4_4—O3_4—C4_4—C3_4	44.2 (7)	Zn8_8—O3_8—C4_8—C3_8	−43.9 (7)
O2_4—C3_4—C4_4—O3_4	−57.4 (8)	O2_8—C3_8—C4_8—O3_8	55.1 (8)
C4_4—O3_4—C5_4—C6_4	−178.0 (6)	C4_8—O3_8—C5_8—C6_8	−179.0 (6)
Zn4_4—O3_4—C5_4—C6_4	−44.3 (8)	Zn8_8—O3_8—C5_8—C6_8	49.4 (7)
C7_4—O4_4—C6_4—C5_4	−172.0 (7)	C7_8—O4_8—C6_8—C5_8	170.9 (7)
Zn4_4—O4_4—C6_4—C5_4	−41.8 (8)	Zn8_8—O4_8—C6_8—C5_8	43.5 (8)
O3_4—C5_4—C6_4—O4_4	55.8 (9)	O3_8—C5_8—C6_8—O4_8	−61.1 (8)
C6_4—O4_4—C7_4—C8_4	177.1 (7)	C6_8—O4_8—C7_8—C8_8	−176.9 (6)
Zn4_4—O4_4—C7_4—C8_4	46.6 (8)	Zn8_8—O4_8—C7_8—C8_8	−49.9 (7)
C9_4—O5_4—C8_4—C7_4	−153.0 (7)	C9_8—O5_8—C8_8—C7_8	152.2 (7)
Zn4_4—O5_4—C8_4—C7_4	18.9 (9)	Zn8_8—O5_8—C8_8—C7_8	−20.1 (9)
O4_4—C7_4—C8_4—O5_4	−41.7 (9)	O4_8—C7_8—C8_8—O5_8	44.1 (9)
C8_4—O5_4—C9_4—C10_4	−157.2 (6)	C8_8—O5_8—C9_8—C10_8	157.5 (6)
Zn4_4—O5_4—C9_4—C10_4	30.8 (7)	Zn8_8—O5_8—C9_8—C10_8	−30.0 (7)
C1_4—O1_4—C10_4—C9_4	177.8 (6)	C1_8—O1_8—C10_8—C9_8	−175.7 (6)
Zn4_4—O1_4—C10_4—C9_4	47.8 (6)	Zn8_8—O1_8—C10_8—C9_8	−48.8 (6)
O5_4—C9_4—C10_4—O1_4	−49.0 (7)	O5_8—C9_8—C10_8—O1_8	50.5 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O6_1—H1W_1···O9_11	0.82 (1)	2.50 (6)	2.972 (8)	118 (6)
O6_1—H1W_1···O8_11	0.82 (1)	2.13 (2)	2.944 (9)	169 (6)
O6_1—H2W_1···O9_21^i	0.82 (1)	1.88 (2)	2.675 (7)	164 (7)
O6_1—H2W_1···O10_21^i	0.82 (1)	2.71 (4)	3.380 (9)	140 (5)
O7_1—H3W_1···O9_14^ii	0.82 (1)	2.02 (2)	2.820 (8)	165 (6)
O7_1—H3W_1···O10_14^ii	0.82 (1)	2.63 (6)	3.120 (9)	120 (5)
O7_1—H4W_1···O8_19	0.82 (1)	2.08 (4)	2.744 (8)	138 (6)
O6_2—H1W_2···O9_13^ii	0.82 (1)	2.08 (2)	2.885 (8)	167 (7)
O6_2—H1W_2···O10_13^ii	0.82 (1)	2.59 (4)	3.255 (9)	139 (6)
O6_2—H2W_2···O8_20	0.82 (1)	2.55 (6)	2.970 (9)	113 (5)
O6_2—H2W_2···O9_20	0.82 (1)	2.31 (3)	3.072 (8)	154 (6)
O7_2—H3W_2···O9_20^i	0.81 (1)	1.95 (2)	2.741 (8)	163 (7)
O7_2—H4W_2···O8_12	0.81 (1)	1.95 (2)	2.741 (8)	167 (7)
O7_2—H4W_2···O9_12	0.81 (1)	2.78 (7)	3.240 (8)	118 (6)
O6_3—H1W_3···O9_19^i	0.82 (1)	1.93 (1)	2.744 (8)	176 (7)
O6_3—H2W_3···O8_13	0.81 (1)	2.02 (1)	2.824 (9)	172 (6)
O6_3—H2W_3···O9_13	0.81 (1)	2.50 (5)	3.064 (7)	127 (6)
O7_3—H3W_3···O9_12^ii	0.82 (1)	2.03 (4)	2.756 (8)	149 (6)
O7_3—H3W_3···O10_12^ii	0.82 (1)	2.55 (3)	3.299 (9)	152 (5)
O7_3—H4W_3···O8_21	0.82 (1)	2.05 (4)	2.769 (7)	147 (6)
O6_4—H1W_4···O9_26^iii	0.82 (1)	1.97 (4)	2.678 (8)	143 (6)
O6_4—H1W_4···O10_26^iii	0.82 (1)	2.70 (5)	3.335 (8)	135 (5)
O6_4—H2W_4···O8_14	0.82 (1)	2.07 (2)	2.889 (8)	174 (6)
O6_4—H2W_4···O9_14	0.82 (1)	2.44 (6)	2.962 (8)	123 (6)
O7_4—H3W_4···O9_11^ii	0.82 (1)	2.06 (2)	2.860 (9)	168 (7)
O7_4—H3W_4···O10_11^ii	0.82 (1)	2.60 (5)	3.202 (9)	132 (6)
O7_4—H4W_4···O8_22	0.81 (1)	1.98 (2)	2.780 (8)	169 (7)
O6_5—H1W_5···O8_23	0.81 (1)	2.47 (6)	2.938 (9)	118 (5)
O6_5—H1W_5···O9_23	0.81 (1)	2.38 (3)	3.110 (8)	149 (6)
O6_5—H2W_5···O9_18^iv	0.82 (1)	2.04 (2)	2.821 (8)	160 (6)
O7_5—H3W_5···O9_25^iii	0.82 (1)	2.03 (3)	2.774 (8)	151 (6)
O7_5—H3W_5···O10_25^iii	0.82 (1)	2.53 (5)	3.169 (9)	136 (6)
O7_5—H4W_5···O8_15	0.82 (1)	2.02 (4)	2.749 (8)	148 (6)
O7_5—H4W_5···O9_15	0.82 (1)	2.94 (7)	3.222 (8)	102 (5)
O6_6—H1W_6···O8_16	0.82 (1)	2.08 (2)	2.896 (9)	175 (7)
O6_6—H1W_6···O9_16	0.82 (1)	2.47 (6)	3.004 (8)	123 (6)
O6_6—H2W_6···O9_24^iii	0.82 (1)	1.99 (4)	2.703 (8)	146 (6)
O6_6—H2W_6···O10_24^iii	0.82 (1)	2.69 (4)	3.389 (9)	145 (6)
O7_6—H3W_6···O8_24	0.82 (1)	1.97 (3)	2.727 (8)	154 (6)
O7_6—H4W_6···O9_17^iv	0.82 (1)	1.95 (1)	2.759 (8)	172 (6)
O7_6—H4W_6···O10_17^iv	0.82 (1)	2.63 (5)	3.227 (9)	131 (6)
O6_7—H1W_7···O9_16^iv	0.82 (1)	2.09 (2)	2.886 (8)	165 (6)
O6_7—H1W_7···O10_16^iv	0.82 (1)	2.77 (6)	3.220 (8)	117 (5)
O6_7—H2W_7···O8_25	0.82 (1)	2.39 (5)	2.953 (8)	126 (5)
O6_7—H2W_7···O9_25	0.82 (1)	2.27 (2)	3.081 (8)	170 (6)
O7_7—H3W_7···O9_23^iii	0.82 (1)	1.91 (2)	2.698 (8)	161 (6)
O7_7—H3W_7···O10_23^iii	0.82 (1)	2.55 (4)	3.208 (8)	138 (6)
O7_7—H4W_7···O8_17	0.81 (1)	1.96 (2)	2.753 (7)	165 (7)
O7_7—H4W_7···O9_17	0.81 (1)	2.71 (7)	3.142 (8)	115 (6)
O6_8—H1W_8···O9_15^iv	0.82 (1)	2.03 (3)	2.810 (8)	158 (7)
O6_8—H2W_8···O8_26	0.82 (1)	2.27 (5)	2.838 (9)	127 (5)
O6_8—H2W_8···O9_26	0.82 (1)	2.42 (2)	3.219 (8)	165 (5)
O7_8—H3W_8···O9_22^iii	0.82 (1)	1.93 (2)	2.740 (8)	166 (7)
O7_8—H4W_8···O8_18	0.82 (1)	1.94 (2)	2.736 (8)	163 (6)
O7_8—H4W_8···O9_18	0.82 (1)	2.70 (6)	3.197 (8)	121 (6)

Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1/2, y+1/2, −z+3/2; (iv) −x+1/2, y−1/2, −z+3/2.

(NiZprime2) 'diaqua(15-crown-5)nickel(II) nitrate

Crystal data

C10H24O7Ni^2+·2(NO3^−)	Z = 8
Mr = 439.02	F(000) = 1840
Triclinic, C1	Dx = 1.632 Mg m^−3
a = 14.719 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 28.041 (3) Å	Cell parameters from 8005 reflections
c = 10.704 (2) Å	θ = 1.0–27.5°
α = 90.20 (1)°	µ = 1.16 mm^−1
β = 125.99 (2)°	T = 308 K
γ = 89.870 (1)°	Block, yellow
V = 3574.6 (13) Å^3	0.35 × 0.15 × 0.15 mm

Data collection

Nonius KappaCCD diffractometer	6301 independent reflections
Radiation source: fine-focus sealed tube	4268 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
Detector resolution: 18 pixels mm^-1	θmax = 25.0°, θmin = 1.5°
ω scans at fixed χ = 55°	h = −17→17
Absorption correction: multi-scan Scalepack (Otwinowski & Minor, 2006)	k = −33→32
Tmin = 0.688, Tmax = 0.846	l = −12→12
12132 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.045	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.125	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ^2(Fo^2) + (0.064P)^2] where P = (Fo^2 + 2Fc^2)/3
6301 reflections	(Δ/σ)max = 0.001
494 parameters	Δρmax = 0.65 e Å^−3
12 restraints	Δρmin = −0.52 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ni1	0.49828 (6)	0.25131 (2)	0.48782 (9)	0.0584 (2)
O11	0.6839 (3)	0.26580 (11)	0.6135 (4)	0.0557 (9)
O21	0.5156 (3)	0.30292 (12)	0.3475 (4)	0.0589 (9)
O31	0.3322 (3)	0.25605 (12)	0.2585 (4)	0.0583 (10)
O41	0.3684 (3)	0.21433 (12)	0.5090 (4)	0.0657 (10)
O51	0.5824 (3)	0.21807 (11)	0.7059 (4)	0.0571 (9)
O61	0.4784 (4)	0.30893 (14)	0.5754 (4)	0.0698 (11)
H1W	0.488 (5)	0.306 (2)	0.658 (4)	0.105*
H2W	0.437 (4)	0.3318 (14)	0.534 (5)	0.105*
O71	0.5197 (4)	0.19265 (15)	0.4059 (4)	0.0706 (11)
H3W	0.577 (3)	0.1772 (19)	0.455 (5)	0.106*
H4W	0.497 (5)	0.192 (2)	0.316 (2)	0.106*
C11	0.7025 (5)	0.3092 (2)	0.5604 (7)	0.0732 (17)
H11A	0.7802	0.3113	0.5963	0.088*
H11B	0.6857	0.3367	0.5988	0.088*
C21	0.6266 (4)	0.3077 (2)	0.3894 (6)	0.0733 (17)
H21A	0.6333	0.3368	0.3465	0.088*
H21B	0.6451	0.2808	0.3508	0.088*
C31	0.4311 (5)	0.29993 (19)	0.1863 (6)	0.0625 (15)
H31A	0.4422	0.2720	0.1432	0.075*
H31B	0.4320	0.3280	0.1345	0.075*
C41	0.3217 (4)	0.29655 (17)	0.1680 (6)	0.0624 (15)
H41A	0.3084	0.3254	0.2051	0.075*
H41B	0.2597	0.2920	0.0603	0.075*
C51	0.2391 (4)	0.2491 (2)	0.2653 (7)	0.0725 (17)
H51A	0.1706	0.2443	0.1626	0.087*
H51B	0.2295	0.2765	0.3119	0.087*
C61	0.2667 (4)	0.2054 (2)	0.3626 (7)	0.0785 (18)
H61A	0.2070	0.1988	0.3733	0.094*
H61B	0.2751	0.1780	0.3146	0.094*
C71	0.4174 (5)	0.1743 (2)	0.6072 (6)	0.0710 (16)
H71A	0.4303	0.1492	0.5568	0.085*
H71B	0.3678	0.1621	0.6313	0.085*
C81	0.5250 (5)	0.1897 (2)	0.7500 (7)	0.0707 (17)
H81A	0.5113	0.2081	0.8142	0.085*
H81B	0.5700	0.1621	0.8082	0.085*
C91	0.7020 (4)	0.21866 (19)	0.8067 (6)	0.0588 (15)
H91A	0.7322	0.1914	0.7863	0.071*
H91B	0.7278	0.2173	0.9134	0.071*
C101	0.7394 (4)	0.2637 (2)	0.7777 (6)	0.0647 (15)
H10A	0.7187	0.2909	0.8122	0.078*
H10B	0.8203	0.2637	0.8321	0.078*
Ni2	0.25705 (5)	0.49861 (2)	0.01893 (8)	0.0584 (2)
O12	0.0685 (3)	0.51374 (11)	−0.1114 (4)	0.0570 (9)
O22	0.2388 (3)	0.55026 (12)	0.1535 (4)	0.0596 (9)
O32	0.4208 (3)	0.50221 (12)	0.2443 (4)	0.0597 (9)
O42	0.3811 (3)	0.46003 (14)	−0.0066 (4)	0.0737 (11)
O52	0.1691 (3)	0.46619 (11)	−0.2023 (3)	0.0574 (9)
O62	0.2798 (4)	0.55553 (14)	−0.0696 (4)	0.0767 (12)
H5W	0.257 (6)	0.5589 (19)	−0.159 (3)	0.115*
H6W	0.302 (5)	0.5816 (10)	−0.029 (5)	0.115*
O72	0.2323 (4)	0.44073 (13)	0.1041 (4)	0.0735 (12)
H7W	0.212 (5)	0.4153 (10)	0.059 (5)	0.110*
H8W	0.267 (5)	0.4344 (18)	0.1959 (17)	0.110*
C12	0.0519 (5)	0.5566 (2)	−0.0566 (7)	0.0780 (18)
H12A	−0.0254	0.5587	−0.0908	0.094*
H12B	0.0677	0.5839	−0.0962	0.094*
C22	0.1292 (5)	0.5561 (2)	0.1150 (7)	0.0764 (17)
H22A	0.1238	0.5857	0.1571	0.092*
H22B	0.1110	0.5299	0.1557	0.092*
C32	0.3263 (5)	0.54859 (18)	0.3154 (6)	0.0674 (16)
H32A	0.3153	0.5218	0.3623	0.081*
H32B	0.3272	0.5777	0.3653	0.081*
C42	0.4342 (4)	0.54307 (19)	0.3317 (6)	0.0652 (15)
H42A	0.4484	0.5710	0.2925	0.078*
H42B	0.4966	0.5388	0.4393	0.078*
C52	0.5122 (4)	0.4933 (2)	0.2361 (7)	0.0849 (19)
H52A	0.5804	0.4881	0.3387	0.102*
H52B	0.5238	0.5205	0.1911	0.102*
C62	0.4848 (5)	0.4507 (2)	0.1397 (7)	0.091 (2)
H62A	0.5437	0.4444	0.1269	0.109*
H62B	0.4774	0.4232	0.1876	0.109*
C72	0.3319 (5)	0.4213 (2)	−0.1063 (6)	0.0793 (18)
H72A	0.3195	0.3957	−0.0573	0.095*
H72B	0.3809	0.4097	−0.1324	0.095*
C82	0.2241 (5)	0.4369 (2)	−0.2469 (6)	0.0721 (17)
H82A	0.2370	0.4546	−0.3129	0.087*
H82B	0.1780	0.4094	−0.3040	0.087*
C92	0.0507 (4)	0.4673 (2)	−0.3052 (6)	0.0613 (15)
H92A	0.0186	0.4403	−0.2877	0.074*
H92B	0.0265	0.4663	−0.4113	0.074*
C102	0.0149 (4)	0.5131 (2)	−0.2736 (5)	0.0643 (15)
H10C	0.0384	0.5403	−0.3042	0.077*
H10D	−0.0661	0.5141	−0.3296	0.077*
N1	0.4414 (4)	0.15748 (17)	0.0515 (5)	0.0576 (12)
O81	0.4208 (4)	0.14550 (19)	−0.0716 (6)	0.1116 (17)
O91	0.4957 (4)	0.19238 (17)	0.1203 (6)	0.1068 (16)
O101	0.3997 (4)	0.13459 (19)	0.1032 (5)	0.1096 (18)
N2	0.1847 (4)	0.59002 (16)	−0.4326 (5)	0.0560 (12)
O82	0.1844 (4)	0.60085 (17)	−0.5438 (5)	0.1033 (16)
O92	0.2302 (4)	0.55347 (15)	−0.3578 (5)	0.0836 (13)
O102	0.1353 (4)	0.61626 (16)	−0.3972 (5)	0.0985 (16)
N3	0.5696 (4)	0.34019 (17)	0.9388 (5)	0.0574 (12)
O83	0.5699 (4)	0.35481 (17)	1.0454 (5)	0.0944 (15)
O93	0.5191 (4)	0.30413 (16)	0.8645 (5)	0.0912 (14)
O103	0.6272 (4)	0.36121 (14)	0.9051 (5)	0.0785 (12)
N4	0.3108 (4)	0.40757 (16)	0.4609 (5)	0.0599 (12)
O84	0.3343 (4)	0.39149 (17)	0.5839 (5)	0.0916 (14)
O94	0.2506 (4)	0.44183 (16)	0.3977 (6)	0.1097 (17)
O104	0.3536 (4)	0.38848 (16)	0.4020 (4)	0.0890 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ni1	0.0720 (6)	0.0469 (4)	0.0499 (5)	0.0159 (4)	0.0323 (4)	0.0020 (3)
O11	0.057 (2)	0.056 (2)	0.054 (2)	−0.0010 (17)	0.0319 (19)	0.0041 (17)
O21	0.050 (2)	0.068 (2)	0.055 (2)	0.0079 (17)	0.0286 (19)	0.0082 (17)
O31	0.053 (2)	0.056 (2)	0.063 (2)	0.0078 (17)	0.032 (2)	0.0064 (17)
O41	0.059 (2)	0.060 (2)	0.070 (2)	−0.0031 (18)	0.033 (2)	0.0037 (18)
O51	0.052 (2)	0.061 (2)	0.053 (2)	0.0019 (17)	0.0275 (19)	0.0127 (16)
O61	0.094 (3)	0.059 (2)	0.056 (2)	0.026 (2)	0.044 (2)	0.0034 (18)
O71	0.086 (3)	0.059 (2)	0.054 (2)	0.031 (2)	0.034 (2)	0.0012 (19)
C11	0.058 (4)	0.077 (4)	0.079 (4)	−0.002 (3)	0.037 (3)	0.016 (3)
C21	0.065 (4)	0.081 (4)	0.080 (4)	0.001 (3)	0.046 (4)	0.023 (3)
C31	0.076 (4)	0.060 (3)	0.052 (3)	0.013 (3)	0.039 (3)	0.018 (2)
C41	0.064 (4)	0.058 (3)	0.043 (3)	0.015 (3)	0.018 (3)	0.008 (2)
C51	0.046 (4)	0.088 (4)	0.061 (4)	0.002 (3)	0.019 (3)	0.002 (3)
C61	0.049 (4)	0.093 (5)	0.076 (4)	−0.014 (3)	0.027 (3)	0.002 (3)
C71	0.071 (4)	0.066 (4)	0.077 (4)	−0.007 (3)	0.044 (4)	0.006 (3)
C81	0.080 (4)	0.066 (4)	0.073 (4)	0.005 (3)	0.049 (4)	0.020 (3)
C91	0.045 (3)	0.072 (4)	0.042 (3)	0.011 (3)	0.016 (3)	0.002 (3)
C101	0.049 (3)	0.083 (4)	0.046 (3)	0.000 (3)	0.019 (3)	−0.002 (3)
Ni2	0.0717 (5)	0.0474 (4)	0.0481 (4)	−0.0133 (4)	0.0308 (4)	−0.0029 (3)
O12	0.053 (2)	0.060 (2)	0.052 (2)	0.0082 (17)	0.0275 (18)	−0.0030 (16)
O22	0.056 (2)	0.061 (2)	0.057 (2)	0.0018 (18)	0.031 (2)	−0.0030 (17)
O32	0.052 (2)	0.062 (2)	0.056 (2)	−0.0079 (18)	0.0266 (19)	−0.0143 (17)
O42	0.055 (2)	0.084 (3)	0.065 (2)	0.006 (2)	0.025 (2)	−0.011 (2)
O52	0.049 (2)	0.065 (2)	0.050 (2)	0.0037 (17)	0.0245 (18)	−0.0105 (16)
O62	0.109 (3)	0.061 (3)	0.059 (3)	−0.030 (2)	0.049 (3)	−0.0091 (19)
O72	0.093 (3)	0.054 (2)	0.050 (2)	−0.024 (2)	0.028 (2)	0.0024 (18)
C12	0.062 (4)	0.071 (4)	0.093 (5)	0.019 (3)	0.042 (4)	−0.005 (3)
C22	0.072 (4)	0.085 (4)	0.082 (4)	0.012 (3)	0.051 (4)	−0.011 (3)
C32	0.087 (4)	0.051 (3)	0.054 (3)	−0.007 (3)	0.036 (3)	−0.010 (2)
C42	0.060 (4)	0.063 (3)	0.053 (3)	−0.009 (3)	0.023 (3)	0.000 (3)
C52	0.048 (4)	0.115 (5)	0.067 (4)	0.005 (3)	0.020 (3)	−0.014 (4)
C62	0.060 (4)	0.104 (5)	0.078 (4)	0.026 (4)	0.025 (4)	−0.011 (4)
C72	0.080 (4)	0.077 (4)	0.070 (4)	0.021 (3)	0.038 (4)	−0.012 (3)
C82	0.080 (4)	0.068 (4)	0.066 (4)	0.005 (3)	0.042 (4)	−0.016 (3)
C92	0.054 (3)	0.069 (4)	0.041 (3)	−0.003 (3)	0.017 (3)	0.001 (3)
C102	0.047 (3)	0.076 (4)	0.049 (3)	0.008 (3)	0.016 (3)	0.009 (3)
N1	0.058 (3)	0.051 (3)	0.057 (3)	0.008 (2)	0.030 (3)	−0.002 (2)
O81	0.126 (4)	0.122 (4)	0.087 (3)	0.021 (3)	0.063 (3)	−0.021 (3)
O91	0.101 (4)	0.066 (3)	0.114 (4)	−0.034 (3)	0.042 (3)	−0.020 (3)
O101	0.088 (3)	0.138 (4)	0.085 (3)	−0.023 (3)	0.041 (3)	0.035 (3)
N2	0.056 (3)	0.050 (3)	0.043 (2)	−0.009 (2)	0.018 (2)	−0.004 (2)
O82	0.131 (4)	0.105 (4)	0.089 (3)	−0.020 (3)	0.073 (3)	0.013 (3)
O92	0.104 (3)	0.064 (3)	0.073 (3)	0.033 (2)	0.048 (3)	0.015 (2)
O102	0.126 (4)	0.080 (3)	0.082 (3)	0.044 (3)	0.057 (3)	0.002 (2)
N3	0.057 (3)	0.054 (3)	0.053 (3)	0.008 (2)	0.028 (3)	0.008 (2)
O83	0.110 (4)	0.111 (4)	0.087 (3)	0.009 (3)	0.072 (3)	−0.016 (3)
O93	0.101 (3)	0.066 (3)	0.091 (3)	−0.030 (2)	0.048 (3)	−0.014 (2)
O103	0.099 (3)	0.068 (3)	0.076 (3)	−0.008 (2)	0.055 (3)	−0.001 (2)
N4	0.057 (3)	0.044 (3)	0.058 (3)	−0.004 (2)	0.023 (3)	−0.007 (2)
O84	0.111 (4)	0.097 (3)	0.079 (3)	0.007 (3)	0.062 (3)	0.016 (2)
O94	0.089 (3)	0.076 (3)	0.120 (4)	0.037 (3)	0.036 (3)	0.021 (3)
O104	0.104 (3)	0.101 (3)	0.063 (3)	0.018 (3)	0.050 (3)	−0.010 (2)

Geometric parameters (Å, º)

Ni1—O61	1.971 (3)	Ni2—O12	2.297 (3)
Ni1—O71	1.971 (4)	O12—C12	1.417 (6)
Ni1—O51	2.112 (3)	O12—C102	1.424 (6)
Ni1—O21	2.209 (3)	O22—C22	1.420 (6)
Ni1—O31	2.229 (4)	O22—C32	1.429 (6)
Ni1—O11	2.262 (3)	O32—C42	1.415 (6)
Ni1—O41	2.303 (4)	O32—C52	1.419 (6)
O11—C101	1.439 (6)	O42—C72	1.388 (6)
O11—C11	1.440 (6)	O42—C62	1.429 (6)
O21—C31	1.418 (6)	O52—C92	1.412 (6)
O21—C21	1.424 (6)	O52—C82	1.418 (6)
O31—C51	1.427 (6)	O62—H5W	0.814 (10)
O31—C41	1.444 (5)	O62—H6W	0.814 (10)
O41—C71	1.414 (6)	O72—H7W	0.814 (10)
O41—C61	1.414 (6)	O72—H8W	0.817 (10)
O51—C91	1.425 (6)	C12—C22	1.487 (7)
O51—C81	1.431 (6)	C12—H12A	0.9700
O61—H1W	0.821 (10)	C12—H12B	0.9700
O61—H2W	0.814 (10)	C22—H22A	0.9700
O71—H3W	0.809 (10)	C22—H22B	0.9700
O71—H4W	0.812 (10)	C32—C42	1.501 (7)
C11—C21	1.482 (7)	C32—H32A	0.9700
C11—H11A	0.9700	C32—H32B	0.9700
C11—H11B	0.9700	C42—H42A	0.9700
C21—H21A	0.9700	C42—H42B	0.9700
C21—H21B	0.9700	C52—C62	1.469 (8)
C31—C41	1.506 (7)	C52—H52A	0.9700
C31—H31A	0.9700	C52—H52B	0.9700
C31—H31B	0.9700	C62—H62A	0.9700
C41—H41A	0.9700	C62—H62B	0.9700
C41—H41B	0.9700	C72—C82	1.472 (7)
C51—C61	1.504 (7)	C72—H72A	0.9700
C51—H51A	0.9700	C72—H72B	0.9700
C51—H51B	0.9700	C82—H82A	0.9700
C61—H61A	0.9700	C82—H82B	0.9700
C61—H61B	0.9700	C92—C102	1.499 (7)
C71—C81	1.478 (7)	C92—H92A	0.9700
C71—H71A	0.9700	C92—H92B	0.9700
C71—H71B	0.9700	C102—H10C	0.9700
C81—H81A	0.9700	C102—H10D	0.9700
C81—H81B	0.9700	N1—O91	1.203 (6)
C91—C101	1.485 (7)	N1—O81	1.213 (6)
C91—H91A	0.9700	N1—O101	1.223 (6)
C91—H91B	0.9700	N2—O82	1.228 (5)
C101—H10A	0.9700	N2—O92	1.230 (5)
C101—H10B	0.9700	N2—O102	1.237 (6)
Ni2—O62	1.986 (3)	N3—O83	1.209 (6)
Ni2—O72	2.000 (4)	N3—O93	1.229 (6)
Ni2—O52	2.121 (3)	N3—O103	1.249 (5)
Ni2—O22	2.164 (3)	N4—O94	1.209 (6)
Ni2—O32	2.192 (3)	N4—O84	1.235 (6)
Ni2—O42	2.270 (4)	N4—O104	1.242 (6)
O61—Ni1—O71	178.30 (14)	O62—Ni2—O32	96.00 (16)
O61—Ni1—O51	89.54 (14)	O72—Ni2—O32	84.93 (15)
O71—Ni1—O51	88.79 (14)	O52—Ni2—O32	143.40 (13)
O61—Ni1—O21	83.92 (15)	O22—Ni2—O32	73.98 (13)
O71—Ni1—O21	97.63 (16)	O62—Ni2—O42	87.24 (18)
O51—Ni1—O21	144.69 (14)	O72—Ni2—O42	92.50 (18)
O61—Ni1—O31	95.76 (15)	O52—Ni2—O42	70.73 (12)
O71—Ni1—O31	85.39 (15)	O22—Ni2—O42	145.04 (14)
O51—Ni1—O31	142.66 (13)	O32—Ni2—O42	73.24 (13)
O21—Ni1—O31	72.63 (13)	O62—Ni2—O12	92.53 (17)
O61—Ni1—O11	91.98 (16)	O72—Ni2—O12	87.02 (16)
O71—Ni1—O11	87.82 (16)	O52—Ni2—O12	70.93 (12)
O51—Ni1—O11	72.79 (12)	O22—Ni2—O12	72.74 (12)
O21—Ni1—O11	72.81 (12)	O32—Ni2—O12	144.58 (12)
O31—Ni1—O11	143.49 (13)	O42—Ni2—O12	141.65 (13)
O61—Ni1—O41	87.66 (17)	C12—O12—C102	113.9 (4)
O71—Ni1—O41	91.50 (16)	C12—O12—Ni2	110.2 (3)
O51—Ni1—O41	70.84 (13)	C102—O12—Ni2	110.2 (3)
O21—Ni1—O41	143.00 (14)	C22—O22—C32	114.6 (4)
O31—Ni1—O41	72.48 (13)	C22—O22—Ni2	116.5 (3)
O11—Ni1—O41	143.63 (13)	C32—O22—Ni2	114.1 (3)
C101—O11—C11	114.6 (4)	C42—O32—C52	114.3 (4)
C101—O11—Ni1	109.9 (3)	C42—O32—Ni2	113.5 (3)
C11—O11—Ni1	111.2 (3)	C52—O32—Ni2	113.2 (3)
C31—O21—C21	114.4 (4)	C72—O42—C62	116.0 (4)
C31—O21—Ni1	114.9 (3)	C72—O42—Ni2	111.7 (3)
C21—O21—Ni1	114.7 (3)	C62—O42—Ni2	111.8 (3)
C51—O31—C41	114.6 (4)	C92—O52—C82	116.0 (4)
C51—O31—Ni1	113.6 (3)	C92—O52—Ni2	121.7 (3)
C41—O31—Ni1	113.7 (3)	C82—O52—Ni2	121.8 (3)
C71—O41—C61	115.5 (4)	Ni2—O62—H5W	126 (4)
C71—O41—Ni1	110.0 (3)	Ni2—O62—H6W	127 (4)
C61—O41—Ni1	111.6 (3)	H5W—O62—H6W	106.5 (18)
C91—O51—C81	117.6 (4)	Ni2—O72—H7W	122 (4)
C91—O51—Ni1	119.5 (3)	Ni2—O72—H8W	125 (4)
C81—O51—Ni1	122.5 (3)	H7W—O72—H8W	106.2 (17)
Ni1—O61—H1W	117 (4)	O12—C12—C22	107.9 (4)
Ni1—O61—H2W	131 (4)	O12—C12—H12A	110.1
H1W—O61—H2W	105.3 (17)	C22—C12—H12A	110.1
Ni1—O71—H3W	122 (4)	O12—C12—H12B	110.1
Ni1—O71—H4W	119 (4)	C22—C12—H12B	110.1
H3W—O71—H4W	107.3 (18)	H12A—C12—H12B	108.4
O11—C11—C21	106.6 (5)	O22—C22—C12	105.9 (4)
O11—C11—H11A	110.4	O22—C22—H22A	110.6
C21—C11—H11A	110.4	C12—C22—H22A	110.6
O11—C11—H11B	110.4	O22—C22—H22B	110.6
C21—C11—H11B	110.4	C12—C22—H22B	110.6
H11A—C11—H11B	108.6	H22A—C22—H22B	108.7
O21—C21—C11	106.5 (4)	O22—C32—C42	106.4 (4)
O21—C21—H21A	110.4	O22—C32—H32A	110.4
C11—C21—H21A	110.4	C42—C32—H32A	110.4
O21—C21—H21B	110.4	O22—C32—H32B	110.4
C11—C21—H21B	110.4	C42—C32—H32B	110.4
H21A—C21—H21B	108.6	H32A—C32—H32B	108.6
O21—C31—C41	105.6 (4)	O32—C42—C32	106.2 (4)
O21—C31—H31A	110.6	O32—C42—H42A	110.5
C41—C31—H31A	110.6	C32—C42—H42A	110.5
O21—C31—H31B	110.6	O32—C42—H42B	110.5
C41—C31—H31B	110.6	C32—C42—H42B	110.5
H31A—C31—H31B	108.8	H42A—C42—H42B	108.7
O31—C41—C31	106.2 (4)	O32—C52—C62	107.8 (5)
O31—C41—H41A	110.5	O32—C52—H52A	110.2
C31—C41—H41A	110.5	C62—C52—H52A	110.2
O31—C41—H41B	110.5	O32—C52—H52B	110.2
C31—C41—H41B	110.5	C62—C52—H52B	110.2
H41A—C41—H41B	108.7	H52A—C52—H52B	108.5
O31—C51—C61	105.8 (4)	O42—C62—C52	107.2 (5)
O31—C51—H51A	110.6	O42—C62—H62A	110.3
C61—C51—H51A	110.6	C52—C62—H62A	110.3
O31—C51—H51B	110.6	O42—C62—H62B	110.3
C61—C51—H51B	110.6	C52—C62—H62B	110.3
H51A—C51—H51B	108.7	H62A—C62—H62B	108.5
O41—C61—C51	107.7 (5)	O42—C72—C82	108.4 (4)
O41—C61—H61A	110.2	O42—C72—H72A	110.0
C51—C61—H61A	110.2	C82—C72—H72A	110.0
O41—C61—H61B	110.2	O42—C72—H72B	110.0
C51—C61—H61B	110.2	C82—C72—H72B	110.0
H61A—C61—H61B	108.5	H72A—C72—H72B	108.4
O41—C71—C81	107.9 (4)	O52—C82—C72	108.2 (4)
O41—C71—H71A	110.1	O52—C82—H82A	110.1
C81—C71—H71A	110.1	C72—C82—H82A	110.1
O41—C71—H71B	110.1	O52—C82—H82B	110.1
C81—C71—H71B	110.1	C72—C82—H82B	110.1
H71A—C71—H71B	108.4	H82A—C82—H82B	108.4
O51—C81—C71	107.6 (4)	O52—C92—C102	106.3 (4)
O51—C81—H81A	110.2	O52—C92—H92A	110.5
C71—C81—H81A	110.2	C102—C92—H92A	110.5
O51—C81—H81B	110.2	O52—C92—H92B	110.5
C71—C81—H81B	110.2	C102—C92—H92B	110.5
H81A—C81—H81B	108.5	H92A—C92—H92B	108.7
O51—C91—C101	107.3 (4)	O12—C102—C92	105.4 (4)
O51—C91—H91A	110.3	O12—C102—H10C	110.7
C101—C91—H91A	110.3	C92—C102—H10C	110.7
O51—C91—H91B	110.3	O12—C102—H10D	110.7
C101—C91—H91B	110.3	C92—C102—H10D	110.7
H91A—C91—H91B	108.5	H10C—C102—H10D	108.8
O11—C101—C91	106.1 (4)	O91—N1—O81	122.6 (6)
O11—C101—H10A	110.5	O91—N1—O101	118.8 (6)
C91—C101—H10A	110.5	O81—N1—O101	118.5 (6)
O11—C101—H10B	110.5	O82—N2—O92	122.0 (5)
C91—C101—H10B	110.5	O82—N2—O102	118.7 (5)
H10A—C101—H10B	108.7	O92—N2—O102	119.2 (5)
O62—Ni2—O72	178.91 (15)	O83—N3—O93	123.5 (5)
O62—Ni2—O52	88.51 (14)	O83—N3—O103	119.2 (5)
O72—Ni2—O52	90.41 (14)	O93—N3—O103	117.3 (5)
O62—Ni2—O22	84.39 (16)	O94—N4—O84	122.9 (6)
O72—Ni2—O22	96.42 (16)	O94—N4—O104	118.7 (5)
O52—Ni2—O22	142.58 (14)	O84—N4—O104	118.4 (5)
O61—Ni1—O11—C101	63.5 (3)	O62—Ni2—O12—C12	−66.1 (3)
O71—Ni1—O11—C101	−114.9 (3)	O72—Ni2—O12—C12	114.9 (3)
O51—Ni1—O11—C101	−25.4 (3)	O52—Ni2—O12—C12	−153.6 (3)
O21—Ni1—O11—C101	146.5 (3)	O22—Ni2—O12—C12	17.3 (3)
O31—Ni1—O11—C101	165.9 (3)	O32—Ni2—O12—C12	38.0 (4)
O41—Ni1—O11—C101	−25.3 (4)	O42—Ni2—O12—C12	−154.8 (3)
O61—Ni1—O11—C11	−64.5 (3)	O62—Ni2—O12—C102	60.5 (3)
O71—Ni1—O11—C11	117.2 (3)	O72—Ni2—O12—C102	−118.5 (3)
O51—Ni1—O11—C11	−153.4 (3)	O52—Ni2—O12—C102	−27.1 (3)
O21—Ni1—O11—C11	18.6 (3)	O22—Ni2—O12—C102	143.8 (3)
O31—Ni1—O11—C11	38.0 (4)	O32—Ni2—O12—C102	164.5 (3)
O41—Ni1—O11—C11	−153.2 (3)	O42—Ni2—O12—C102	−28.3 (4)
O61—Ni1—O21—C31	−116.4 (3)	O62—Ni2—O22—C22	109.4 (4)
O71—Ni1—O21—C31	64.3 (3)	O72—Ni2—O22—C22	−69.9 (4)
O51—Ni1—O21—C31	163.1 (3)	O52—Ni2—O22—C22	29.3 (4)
O31—Ni1—O21—C31	−18.4 (3)	O32—Ni2—O22—C22	−152.7 (4)
O11—Ni1—O21—C31	149.7 (3)	O42—Ni2—O22—C22	−173.6 (3)
O41—Ni1—O21—C31	−38.5 (4)	O12—Ni2—O22—C22	15.0 (3)
O61—Ni1—O21—C21	108.1 (4)	O62—Ni2—O22—C32	−113.5 (3)
O71—Ni1—O21—C21	−71.2 (4)	O72—Ni2—O22—C32	67.2 (3)
O51—Ni1—O21—C21	27.5 (4)	O52—Ni2—O22—C32	166.3 (3)
O31—Ni1—O21—C21	−153.9 (4)	O32—Ni2—O22—C32	−15.6 (3)
O11—Ni1—O21—C21	14.1 (3)	O42—Ni2—O22—C32	−36.5 (4)
O41—Ni1—O21—C21	−174.0 (3)	O12—Ni2—O22—C32	152.1 (3)
O61—Ni1—O31—C51	−66.3 (4)	O62—Ni2—O32—C42	65.8 (3)
O71—Ni1—O31—C51	112.4 (4)	O72—Ni2—O32—C42	−114.8 (3)
O51—Ni1—O31—C51	30.5 (4)	O52—Ni2—O32—C42	161.4 (3)
O21—Ni1—O31—C51	−148.1 (4)	O22—Ni2—O32—C42	−16.6 (3)
O11—Ni1—O31—C51	−167.6 (3)	O42—Ni2—O32—C42	151.1 (3)
O41—Ni1—O31—C51	19.4 (3)	O12—Ni2—O32—C42	−37.2 (4)
O61—Ni1—O31—C41	67.2 (3)	O62—Ni2—O32—C52	−66.6 (4)
O71—Ni1—O31—C41	−114.1 (3)	O72—Ni2—O32—C52	112.8 (4)
O51—Ni1—O31—C41	164.0 (3)	O52—Ni2—O32—C52	29.0 (5)
O21—Ni1—O31—C41	−14.6 (3)	O22—Ni2—O32—C52	−149.0 (4)
O11—Ni1—O31—C41	−34.0 (4)	O42—Ni2—O32—C52	18.6 (4)
O41—Ni1—O31—C41	152.9 (3)	O12—Ni2—O32—C52	−169.6 (3)
O61—Ni1—O41—C71	−119.7 (3)	O62—Ni2—O42—C72	−118.1 (4)
O71—Ni1—O41—C71	58.8 (3)	O72—Ni2—O42—C72	60.9 (4)
O51—Ni1—O41—C71	−29.4 (3)	O52—Ni2—O42—C72	−28.7 (3)
O21—Ni1—O41—C71	163.6 (3)	O22—Ni2—O42—C72	165.8 (3)
O31—Ni1—O41—C71	143.5 (3)	O32—Ni2—O42—C72	144.8 (4)
O11—Ni1—O41—C71	−29.5 (4)	O12—Ni2—O42—C72	−27.5 (4)
O61—Ni1—O41—C61	110.8 (4)	O62—Ni2—O42—C62	110.0 (4)
O71—Ni1—O41—C61	−70.7 (4)	O72—Ni2—O42—C62	−71.0 (4)
O51—Ni1—O41—C61	−158.9 (4)	O52—Ni2—O42—C62	−160.6 (4)
O21—Ni1—O41—C61	34.1 (4)	O22—Ni2—O42—C62	33.9 (5)
O31—Ni1—O41—C61	14.0 (3)	O32—Ni2—O42—C62	12.9 (4)
O11—Ni1—O41—C61	−159.1 (3)	O12—Ni2—O42—C62	−159.4 (4)
O61—Ni1—O51—C91	−96.4 (4)	O62—Ni2—O52—C92	−96.7 (4)
O71—Ni1—O51—C91	83.9 (3)	O72—Ni2—O52—C92	83.2 (4)
O21—Ni1—O51—C91	−17.6 (4)	O22—Ni2—O52—C92	−18.0 (4)
O31—Ni1—O51—C91	164.7 (3)	O32—Ni2—O52—C92	165.2 (3)
O11—Ni1—O51—C91	−4.2 (3)	O42—Ni2—O52—C92	175.7 (4)
O41—Ni1—O51—C91	175.9 (4)	O12—Ni2—O52—C92	−3.5 (3)
O61—Ni1—O51—C81	91.6 (4)	O62—Ni2—O52—C82	91.9 (4)
O71—Ni1—O51—C81	−88.1 (4)	O72—Ni2—O52—C82	−88.2 (4)
O21—Ni1—O51—C81	170.3 (3)	O22—Ni2—O52—C82	170.6 (3)
O31—Ni1—O51—C81	−7.3 (4)	O32—Ni2—O52—C82	−6.2 (4)
O11—Ni1—O51—C81	−176.2 (4)	O42—Ni2—O52—C82	4.3 (3)
O41—Ni1—O51—C81	3.9 (3)	O12—Ni2—O52—C82	−174.9 (4)
C101—O11—C11—C21	−172.0 (4)	C102—O12—C12—C22	−169.3 (4)
Ni1—O11—C11—C21	−46.7 (5)	Ni2—O12—C12—C22	−44.9 (5)
C31—O21—C21—C11	−178.9 (4)	C32—O22—C22—C12	−179.6 (4)
Ni1—O21—C21—C11	−43.0 (5)	Ni2—O22—C22—C12	−42.8 (5)
O11—C11—C21—O21	57.9 (6)	O12—C12—C22—O22	56.7 (6)
C21—O21—C31—C41	−178.4 (4)	C22—O22—C32—C42	−179.3 (4)
Ni1—O21—C31—C41	45.8 (5)	Ni2—O22—C32—C42	42.8 (5)
C51—O31—C41—C31	175.4 (4)	C52—O32—C42—C32	175.4 (4)
Ni1—O31—C41—C31	42.4 (4)	Ni2—O32—C42—C32	43.5 (5)
O21—C31—C41—O31	−55.9 (5)	O22—C32—C42—O32	−55.0 (5)
C41—O31—C51—C61	179.4 (4)	C42—O32—C52—C62	−178.8 (5)
Ni1—O31—C51—C61	−47.5 (5)	Ni2—O32—C52—C62	−46.8 (6)
C71—O41—C61—C51	−169.6 (5)	C72—O42—C62—C52	−170.5 (5)
Ni1—O41—C61—C51	−43.0 (5)	Ni2—O42—C62—C52	−40.8 (6)
O31—C51—C61—O41	59.0 (6)	O32—C52—C62—O42	57.0 (7)
C61—O41—C71—C81	176.9 (5)	C62—O42—C72—C82	177.4 (5)
Ni1—O41—C71—C81	49.5 (5)	Ni2—O42—C72—C82	47.6 (6)
C91—O51—C81—C71	−151.5 (4)	C92—O52—C82—C72	−153.1 (5)
Ni1—O51—C81—C71	20.7 (6)	Ni2—O52—C82—C72	18.8 (6)
O41—C71—C81—O51	−45.1 (6)	O42—C72—C82—O52	−42.4 (7)
C81—O51—C91—C101	−155.9 (4)	C82—O52—C92—C102	−156.9 (4)
Ni1—O51—C91—C101	31.7 (5)	Ni2—O52—C92—C102	31.2 (5)
C11—O11—C101—C91	175.2 (4)	C12—O12—C102—C92	175.2 (4)
Ni1—O11—C101—C91	49.2 (5)	Ni2—O12—C102—C92	50.7 (5)
O51—C91—C101—O11	−51.6 (5)	O52—C92—C102—O12	−51.8 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O61—H1W···O93	0.82 (1)	1.97 (1)	2.789 (6)	174 (7)
O61—H2W···O104	0.81 (1)	2.00 (2)	2.792 (6)	164 (5)
O61—H2W···O84	0.81 (1)	2.51 (4)	3.173 (6)	140 (4)
O71—H3W···O102^i	0.81 (1)	2.14 (4)	2.779 (6)	136 (5)
O71—H4W···O91	0.81 (1)	2.08 (2)	2.864 (7)	161 (6)
O71—H4W···O101	0.81 (1)	2.44 (5)	3.085 (6)	137 (6)
O62—H5W···O92	0.81 (1)	1.93 (2)	2.721 (5)	165 (7)
O62—H5W···O102	0.81 (1)	2.63 (4)	3.313 (6)	142 (6)
O62—H6W···O103^ii	0.81 (1)	1.95 (1)	2.753 (6)	172 (6)
O72—H7W···O101^iii	0.81 (1)	2.08 (3)	2.843 (6)	157 (6)
O72—H8W···O104	0.82 (1)	2.20 (2)	2.972 (5)	156 (5)
O72—H8W···O94	0.82 (1)	2.32 (4)	2.992 (7)	141 (6)

Symmetry codes: (i) x+1/2, y−1/2, z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1/2, −y+1/2, −z.

(CuZprime2) diaqua(15-crown-5)copper(II) nitrate

Crystal data

C10H24CuO7^2+·2(NO3^−)	Z = 8
Mr = 443.85	F(000) = 1848
Triclinic, C1	Dx = 1.658 Mg m^−3
a = 14.769 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 27.924 (3) Å	Cell parameters from 7471 reflections
c = 10.642 (2) Å	θ = 1.0–27.5°
α = 89.91 (2)°	µ = 1.30 mm^−1
β = 125.88 (2)°	T = 320 K
γ = 90.06 (2)°	Block, colourless
V = 3556.1 (13) Å^3	0.32 × 0.30 × 0.15 mm

Data collection

Nonius KappaCCD diffractometer	8078 independent reflections
Radiation source: fine-focus sealed tube	6313 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.023
Detector resolution: 18 pixels mm^-1	θmax = 27.5°, θmin = 1.9°
ω scans at fixed χ = 55°	h = −19→19
Absorption correction: multi-scan SCALEPACK (Otwinowski & Minor, 2006)	k = −36→36
Tmin = 0.681, Tmax = 0.829	l = −13→13
15229 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.037	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.099	H atoms treated by a mixture of independent and constrained refinement
S = 1.11	w = 1/[σ^2(Fo^2) + (0.050P)^2] where P = (Fo^2 + 2Fc^2)/3
8078 reflections	(Δ/σ)max = 0.002
494 parameters	Δρmax = 0.44 e Å^−3
12 restraints	Δρmin = −0.41 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.49767 (4)	0.251206 (13)	0.48812 (7)	0.03740 (15)
O11	0.68750 (19)	0.26496 (9)	0.6147 (3)	0.0480 (6)
O21	0.5156 (2)	0.30366 (9)	0.3461 (3)	0.0501 (7)
O31	0.3319 (2)	0.25541 (8)	0.2557 (3)	0.0498 (7)
O41	0.3688 (2)	0.21477 (8)	0.5154 (3)	0.0562 (7)
O51	0.58465 (19)	0.21827 (8)	0.7106 (3)	0.0507 (7)
O61	0.4816 (3)	0.30719 (13)	0.5741 (3)	0.0548 (8)
H1W	0.501 (4)	0.3056 (17)	0.663 (2)	0.082*
H2W	0.446 (3)	0.3313 (10)	0.532 (4)	0.082*
O71	0.5177 (3)	0.19429 (13)	0.4089 (3)	0.0568 (8)
H3W	0.552 (4)	0.1712 (11)	0.460 (4)	0.085*
H4W	0.493 (4)	0.1918 (17)	0.3196 (18)	0.085*
C11	0.7035 (3)	0.30897 (15)	0.5598 (5)	0.0636 (11)
H11A	0.7803	0.3116	0.5938	0.076*
H11B	0.6867	0.3362	0.5994	0.076*
C21	0.6262 (3)	0.30761 (16)	0.3878 (5)	0.0642 (12)
H21A	0.6336	0.3366	0.3442	0.077*
H21B	0.6432	0.2804	0.3485	0.077*
C31	0.4297 (3)	0.30051 (14)	0.1824 (4)	0.0536 (10)
H31A	0.4414	0.2727	0.1390	0.064*
H31B	0.4296	0.3289	0.1298	0.064*
C41	0.3215 (3)	0.29620 (13)	0.1645 (4)	0.0533 (11)
H41A	0.3074	0.3250	0.2012	0.064*
H41B	0.2601	0.2915	0.0564	0.064*
C51	0.2412 (3)	0.24860 (17)	0.2684 (5)	0.0639 (13)
H51A	0.1717	0.2441	0.1665	0.077*
H51B	0.2336	0.2763	0.3163	0.077*
C61	0.2676 (3)	0.20497 (16)	0.3665 (5)	0.0666 (12)
H61A	0.2074	0.1983	0.3760	0.080*
H61B	0.2773	0.1774	0.3201	0.080*
C71	0.4192 (4)	0.17430 (15)	0.6128 (5)	0.0642 (11)
H71A	0.4318	0.1496	0.5605	0.077*
H71B	0.3708	0.1613	0.6382	0.077*
C81	0.5279 (4)	0.18959 (15)	0.7573 (5)	0.0610 (11)
H81A	0.5151	0.2081	0.8225	0.073*
H81B	0.5727	0.1618	0.8154	0.073*
C91	0.7034 (3)	0.21824 (15)	0.8097 (4)	0.0529 (11)
H91A	0.7323	0.1908	0.7878	0.063*
H91B	0.7302	0.2168	0.9174	0.063*
C101	0.7403 (3)	0.26409 (15)	0.7779 (4)	0.0554 (10)
H10A	0.7174	0.2915	0.8089	0.066*
H10B	0.8209	0.2647	0.8345	0.066*
Cu2	0.25654 (3)	0.499262 (14)	0.01728 (5)	0.03693 (14)
O12	0.06638 (19)	0.51338 (9)	−0.1102 (3)	0.0498 (6)
O22	0.2409 (2)	0.55178 (10)	0.1592 (3)	0.0523 (7)
O32	0.4236 (2)	0.50234 (9)	0.2501 (3)	0.0523 (7)
O42	0.3837 (2)	0.46148 (10)	−0.0104 (3)	0.0607 (7)
O52	0.16829 (18)	0.46685 (8)	−0.2061 (2)	0.0503 (6)
O62	0.2763 (3)	0.55546 (13)	−0.0673 (3)	0.0588 (9)
H5W	0.264 (4)	0.5556 (18)	−0.153 (3)	0.088*
H6W	0.316 (3)	0.5781 (12)	−0.017 (4)	0.088*
O72	0.2375 (3)	0.44210 (12)	0.1002 (3)	0.0559 (8)
H7W	0.188 (3)	0.4234 (13)	0.045 (4)	0.084*
H8W	0.252 (4)	0.4429 (17)	0.186 (2)	0.084*
C12	0.0518 (4)	0.55644 (16)	−0.0530 (5)	0.0680 (12)
H12A	−0.0245	0.5588	−0.0852	0.082*
H12B	0.0671	0.5839	−0.0940	0.082*
C22	0.1310 (3)	0.55575 (17)	0.1201 (5)	0.0672 (12)
H22A	0.1240	0.5850	0.1629	0.081*
H22B	0.1150	0.5287	0.1616	0.081*
C32	0.3274 (3)	0.54860 (14)	0.3198 (4)	0.0571 (11)
H32A	0.3157	0.5211	0.3645	0.069*
H32B	0.3291	0.5772	0.3726	0.069*
C42	0.4350 (3)	0.54338 (16)	0.3363 (4)	0.0560 (11)
H42A	0.4487	0.5715	0.2962	0.067*
H42B	0.4970	0.5394	0.4445	0.067*
C52	0.5132 (3)	0.49472 (18)	0.2370 (5)	0.0696 (13)
H52A	0.5826	0.4896	0.3386	0.083*
H52B	0.5222	0.5223	0.1897	0.083*
C62	0.4841 (3)	0.45154 (19)	0.1382 (5)	0.0762 (14)
H62A	0.5440	0.4442	0.1286	0.091*
H62B	0.4734	0.4242	0.1846	0.091*
C72	0.3297 (4)	0.42143 (15)	−0.1109 (5)	0.0647 (11)
H72A	0.3159	0.3968	−0.0598	0.078*
H72B	0.3765	0.4081	−0.1385	0.078*
C82	0.2231 (3)	0.43841 (15)	−0.2511 (4)	0.0599 (11)
H82A	0.2372	0.4570	−0.3151	0.072*
H82B	0.1766	0.4113	−0.3113	0.072*
C92	0.0498 (3)	0.46819 (15)	−0.3083 (4)	0.0513 (10)
H92A	0.0184	0.4404	−0.2918	0.062*
H92B	0.0251	0.4681	−0.4152	0.062*
C102	0.0130 (3)	0.51284 (16)	−0.2747 (4)	0.0569 (11)
H10C	0.0350	0.5407	−0.3055	0.068*
H10D	−0.0676	0.5131	−0.3308	0.068*
N1	0.4382 (3)	0.15566 (15)	0.0579 (4)	0.0530 (10)
O81	0.4184 (4)	0.1431 (2)	−0.0661 (5)	0.1193 (17)
O91	0.4943 (3)	0.19032 (15)	0.1283 (5)	0.0896 (12)
O101	0.3943 (3)	0.13344 (17)	0.1063 (5)	0.1114 (17)
N2	0.1819 (3)	0.59168 (13)	−0.4311 (4)	0.0452 (9)
O82	0.1793 (3)	0.60077 (15)	−0.5459 (4)	0.0826 (11)
O92	0.2298 (3)	0.55523 (13)	−0.3524 (4)	0.0696 (10)
O102	0.1344 (3)	0.61835 (13)	−0.3943 (4)	0.0844 (12)
N3	0.5708 (3)	0.34173 (15)	0.9332 (4)	0.0502 (10)
O83	0.5693 (3)	0.35681 (17)	1.0401 (4)	0.0857 (12)
O93	0.5179 (3)	0.30573 (14)	0.8576 (4)	0.0738 (10)
O103	0.6304 (3)	0.36230 (12)	0.9034 (4)	0.0661 (9)
N4	0.3141 (3)	0.40586 (13)	0.4550 (4)	0.0466 (9)
O84	0.3337 (3)	0.39197 (16)	0.5776 (4)	0.0797 (11)
O94	0.2544 (3)	0.44025 (14)	0.3856 (5)	0.0983 (13)
O104	0.3585 (3)	0.38562 (14)	0.4004 (4)	0.0780 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0384 (3)	0.0348 (3)	0.0374 (3)	0.0046 (2)	0.0213 (2)	0.0012 (2)
O11	0.0460 (14)	0.0533 (15)	0.0443 (14)	−0.0013 (12)	0.0262 (12)	0.0028 (12)
O21	0.0454 (14)	0.0571 (16)	0.0448 (15)	0.0059 (12)	0.0248 (12)	0.0051 (12)
O31	0.0454 (16)	0.0493 (15)	0.0499 (16)	0.0062 (12)	0.0251 (13)	0.0055 (11)
O41	0.0507 (15)	0.0532 (16)	0.0600 (16)	−0.0028 (12)	0.0298 (13)	0.0030 (13)
O51	0.0464 (15)	0.0521 (15)	0.0478 (14)	0.0027 (11)	0.0245 (12)	0.0149 (11)
O61	0.070 (2)	0.0470 (18)	0.0435 (15)	0.0136 (15)	0.0308 (16)	−0.0020 (13)
O71	0.071 (2)	0.0466 (18)	0.0413 (15)	0.0195 (15)	0.0267 (15)	0.0010 (13)
C11	0.046 (2)	0.070 (3)	0.072 (3)	−0.011 (2)	0.032 (2)	0.010 (2)
C21	0.056 (3)	0.071 (3)	0.072 (3)	0.004 (2)	0.041 (2)	0.023 (2)
C31	0.066 (3)	0.049 (2)	0.044 (2)	0.0154 (19)	0.0310 (19)	0.0152 (16)
C41	0.055 (2)	0.040 (2)	0.042 (2)	0.0111 (17)	0.0156 (17)	0.0032 (16)
C51	0.036 (2)	0.091 (3)	0.050 (3)	−0.0032 (18)	0.016 (2)	−0.002 (2)
C61	0.045 (2)	0.077 (3)	0.068 (3)	−0.020 (2)	0.028 (2)	−0.003 (2)
C71	0.073 (3)	0.058 (3)	0.071 (3)	−0.011 (2)	0.047 (2)	0.007 (2)
C81	0.076 (3)	0.053 (3)	0.065 (3)	0.001 (2)	0.048 (3)	0.013 (2)
C91	0.048 (2)	0.058 (3)	0.039 (2)	0.012 (2)	0.0179 (17)	0.0041 (18)
C101	0.042 (2)	0.066 (3)	0.046 (2)	0.0022 (19)	0.0193 (18)	0.000 (2)
Cu2	0.0379 (3)	0.0354 (3)	0.0347 (3)	−0.0047 (2)	0.0197 (2)	−0.0023 (2)
O12	0.0442 (14)	0.0538 (15)	0.0466 (14)	0.0036 (11)	0.0239 (12)	−0.0019 (11)
O22	0.0496 (15)	0.0612 (17)	0.0468 (15)	−0.0008 (13)	0.0285 (13)	−0.0033 (12)
O32	0.0412 (14)	0.0575 (16)	0.0502 (15)	−0.0065 (13)	0.0223 (12)	−0.0106 (12)
O42	0.0505 (15)	0.0698 (18)	0.0516 (15)	0.0030 (13)	0.0243 (13)	−0.0077 (13)
O52	0.0428 (14)	0.0588 (15)	0.0428 (13)	0.0008 (11)	0.0214 (11)	−0.0114 (11)
O62	0.088 (2)	0.0467 (18)	0.0504 (17)	−0.0265 (17)	0.0451 (18)	−0.0104 (14)
O72	0.068 (2)	0.0456 (17)	0.0425 (14)	−0.0196 (15)	0.0259 (15)	−0.0005 (14)
C12	0.055 (3)	0.063 (3)	0.078 (3)	0.006 (2)	0.034 (2)	−0.013 (2)
C22	0.062 (3)	0.077 (3)	0.074 (3)	0.006 (2)	0.046 (2)	−0.015 (2)
C32	0.076 (3)	0.045 (2)	0.044 (2)	−0.0032 (19)	0.031 (2)	−0.0101 (16)
C42	0.055 (2)	0.058 (2)	0.0366 (19)	−0.0146 (19)	0.0167 (17)	−0.0067 (17)
C52	0.040 (2)	0.085 (3)	0.064 (3)	0.001 (2)	0.019 (2)	−0.008 (2)
C62	0.046 (2)	0.102 (4)	0.062 (3)	0.021 (2)	0.021 (2)	−0.008 (3)
C72	0.063 (3)	0.066 (3)	0.061 (2)	0.011 (2)	0.034 (2)	−0.012 (2)
C82	0.068 (3)	0.058 (3)	0.051 (2)	0.001 (2)	0.033 (2)	−0.017 (2)
C92	0.044 (2)	0.059 (3)	0.0326 (18)	−0.0059 (19)	0.0127 (16)	−0.0011 (17)
C102	0.048 (2)	0.070 (3)	0.041 (2)	0.011 (2)	0.0190 (18)	0.0102 (18)
N1	0.049 (2)	0.050 (2)	0.048 (2)	0.0057 (18)	0.0210 (17)	−0.0057 (17)
O81	0.104 (3)	0.160 (4)	0.080 (2)	0.027 (3)	0.046 (2)	−0.044 (3)
O91	0.087 (2)	0.062 (2)	0.095 (2)	−0.030 (2)	0.039 (2)	−0.020 (2)
O101	0.081 (3)	0.151 (4)	0.088 (3)	−0.014 (3)	0.042 (2)	0.056 (3)
N2	0.0450 (19)	0.0380 (19)	0.0414 (17)	−0.0091 (16)	0.0190 (15)	−0.0072 (15)
O82	0.111 (3)	0.079 (2)	0.073 (2)	−0.008 (2)	0.062 (2)	0.0102 (18)
O92	0.094 (2)	0.055 (2)	0.0653 (18)	0.0293 (17)	0.0496 (18)	0.0133 (16)
O102	0.110 (3)	0.066 (2)	0.0692 (19)	0.045 (2)	0.048 (2)	0.0088 (17)
N3	0.052 (2)	0.051 (2)	0.0398 (17)	0.0058 (18)	0.0228 (16)	0.0025 (16)
O83	0.089 (2)	0.114 (3)	0.072 (2)	0.011 (2)	0.057 (2)	−0.018 (2)
O93	0.080 (2)	0.063 (2)	0.0678 (19)	−0.0269 (17)	0.0373 (17)	−0.0151 (16)
O103	0.085 (2)	0.0600 (19)	0.0668 (18)	−0.0040 (16)	0.0523 (17)	0.0048 (15)
N4	0.0477 (19)	0.0358 (19)	0.0490 (19)	−0.0070 (16)	0.0243 (16)	−0.0076 (15)
O84	0.103 (3)	0.088 (2)	0.0640 (19)	−0.0011 (19)	0.0581 (19)	0.0036 (17)
O94	0.085 (2)	0.058 (2)	0.109 (3)	0.0293 (19)	0.033 (2)	0.013 (2)
O104	0.090 (2)	0.086 (3)	0.0563 (17)	0.014 (2)	0.0417 (17)	−0.0084 (18)

Geometric parameters (Å, º)

Cu1—O61	1.897 (3)	Cu2—O12	2.328 (3)
Cu1—O71	1.903 (3)	O12—C12	1.421 (5)
Cu1—O51	2.129 (2)	O12—C102	1.438 (4)
Cu1—O21	2.227 (3)	O22—C32	1.415 (4)
Cu1—O31	2.242 (3)	O22—C22	1.424 (5)
Cu1—O11	2.323 (3)	O32—C42	1.416 (5)
Cu1—O41	2.321 (3)	O32—C52	1.427 (5)
O11—C101	1.427 (5)	O42—C72	1.426 (5)
O11—C11	1.438 (4)	O42—C62	1.424 (5)
O21—C21	1.424 (4)	O52—C82	1.405 (4)
O21—C31	1.435 (4)	O52—C92	1.420 (4)
O31—C51	1.436 (5)	O62—H5W	0.813 (10)
O31—C41	1.444 (4)	O62—H6W	0.812 (10)
O41—C71	1.414 (5)	O72—H7W	0.804 (10)
O41—C61	1.430 (5)	O72—H8W	0.808 (10)
O51—C91	1.421 (4)	C12—C22	1.496 (6)
O51—C81	1.441 (4)	C12—H12A	0.9700
O61—H1W	0.812 (10)	C12—H12B	0.9700
O61—H2W	0.810 (10)	C22—H22A	0.9700
O71—H3W	0.802 (10)	C22—H22B	0.9700
O71—H4W	0.798 (10)	C32—C42	1.499 (6)
C11—C21	1.486 (6)	C32—H32A	0.9700
C11—H11A	0.9700	C32—H32B	0.9700
C11—H11B	0.9700	C42—H42A	0.9700
C21—H21A	0.9700	C42—H42B	0.9700
C21—H21B	0.9700	C52—C62	1.489 (7)
C31—C41	1.499 (6)	C52—H52A	0.9700
C31—H31A	0.9700	C52—H52B	0.9700
C31—H31B	0.9700	C62—H62A	0.9700
C41—H41A	0.9700	C62—H62B	0.9700
C41—H41B	0.9700	C72—C82	1.475 (5)
C51—C61	1.499 (6)	C72—H72A	0.9700
C51—H51A	0.9700	C72—H72B	0.9700
C51—H51B	0.9700	C82—H82A	0.9700
C61—H61A	0.9700	C82—H82B	0.9700
C61—H61B	0.9700	C92—C102	1.486 (6)
C71—C81	1.494 (6)	C92—H92A	0.9700
C71—H71A	0.9700	C92—H92B	0.9700
C71—H71B	0.9700	C102—H10C	0.9700
C81—H81A	0.9700	C102—H10D	0.9700
C81—H81B	0.9700	N1—O91	1.207 (5)
C91—C101	1.505 (6)	N1—O101	1.210 (5)
C91—H91A	0.9700	N1—O81	1.224 (5)
C91—H91B	0.9700	N2—O82	1.227 (4)
C101—H10A	0.9700	N2—O102	1.234 (5)
C101—H10B	0.9700	N2—O92	1.242 (5)
Cu2—O62	1.913 (3)	N3—O83	1.225 (5)
Cu2—O72	1.921 (3)	N3—O93	1.238 (5)
Cu2—O52	2.131 (2)	N3—O103	1.238 (5)
Cu2—O22	2.214 (3)	N4—O94	1.217 (5)
Cu2—O32	2.251 (3)	N4—O84	1.221 (4)
Cu2—O42	2.320 (3)	N4—O104	1.239 (5)
O61—Cu1—O71	178.02 (10)	O62—Cu2—O32	96.60 (12)
O61—Cu1—O51	89.04 (12)	O72—Cu2—O32	83.55 (12)
O71—Cu1—O51	89.06 (11)	O52—Cu2—O32	143.47 (10)
O61—Cu1—O21	83.35 (13)	O22—Cu2—O32	73.06 (10)
O71—Cu1—O21	97.86 (13)	O62—Cu2—O42	87.45 (14)
O51—Cu1—O21	143.46 (10)	O72—Cu2—O42	91.58 (14)
O61—Cu1—O31	97.19 (11)	O52—Cu2—O42	71.07 (10)
O71—Cu1—O31	84.67 (11)	O22—Cu2—O42	143.62 (10)
O51—Cu1—O31	143.73 (10)	O32—Cu2—O42	73.21 (10)
O21—Cu1—O31	72.80 (10)	O62—Cu2—O12	92.95 (14)
O61—Cu1—O11	91.93 (13)	O72—Cu2—O12	87.54 (13)
O71—Cu1—O11	86.95 (13)	O52—Cu2—O12	71.44 (9)
O51—Cu1—O11	71.91 (10)	O22—Cu2—O12	73.29 (10)
O21—Cu1—O11	72.69 (10)	O32—Cu2—O12	143.56 (10)
O31—Cu1—O11	142.91 (10)	O42—Cu2—O12	142.50 (9)
O61—Cu1—O41	87.51 (13)	C12—O12—C102	114.7 (3)
O71—Cu1—O41	92.40 (14)	C12—O12—Cu2	109.1 (2)
O51—Cu1—O41	71.15 (10)	C102—O12—Cu2	108.7 (2)
O21—Cu1—O41	143.54 (10)	C32—O22—C22	115.2 (3)
O31—Cu1—O41	73.47 (10)	C32—O22—Cu2	113.7 (2)
O11—Cu1—O41	143.06 (9)	C22—O22—Cu2	114.2 (2)
C101—O11—C11	113.9 (3)	C42—O32—C52	114.9 (3)
C101—O11—Cu1	108.4 (2)	C42—O32—Cu2	112.5 (2)
C11—O11—Cu1	109.6 (2)	C52—O32—Cu2	111.6 (2)
C21—O21—C31	114.8 (3)	C72—O42—C62	116.2 (3)
C21—O21—Cu1	114.2 (2)	C72—O42—Cu2	108.3 (2)
C31—O21—Cu1	114.3 (2)	C62—O42—Cu2	109.9 (2)
C51—O31—C41	115.4 (3)	C82—O52—C92	116.9 (3)
C51—O31—Cu1	111.4 (2)	C82—O52—Cu2	121.6 (2)
C41—O31—Cu1	113.5 (2)	C92—O52—Cu2	121.1 (2)
C71—O41—C61	114.7 (3)	Cu2—O62—H5W	122 (3)
C71—O41—Cu1	108.8 (2)	Cu2—O62—H6W	125 (3)
C61—O41—Cu1	110.2 (2)	H5W—O62—H6W	110 (2)
C91—O51—C81	117.2 (3)	Cu2—O72—H7W	121 (3)
C91—O51—Cu1	120.2 (2)	Cu2—O72—H8W	119 (3)
C81—O51—Cu1	121.9 (2)	H7W—O72—H8W	111 (3)
Cu1—O61—H1W	117 (3)	O12—C12—C22	108.2 (4)
Cu1—O61—H2W	130 (3)	O12—C12—H12A	110.1
H1W—O61—H2W	111 (2)	C22—C12—H12A	110.1
Cu1—O71—H3W	124 (3)	O12—C12—H12B	110.1
Cu1—O71—H4W	122 (3)	C22—C12—H12B	110.1
H3W—O71—H4W	114 (3)	H12A—C12—H12B	108.4
O11—C11—C21	106.7 (3)	O22—C22—C12	107.1 (3)
O11—C11—H11A	110.4	O22—C22—H22A	110.3
C21—C11—H11A	110.4	C12—C22—H22A	110.3
O11—C11—H11B	110.4	O22—C22—H22B	110.3
C21—C11—H11B	110.4	C12—C22—H22B	110.3
H11A—C11—H11B	108.6	H22A—C22—H22B	108.5
O21—C21—C11	107.4 (3)	O22—C32—C42	107.0 (3)
O21—C21—H21A	110.2	O22—C32—H32A	110.3
C11—C21—H21A	110.2	C42—C32—H32A	110.3
O21—C21—H21B	110.2	O22—C32—H32B	110.3
C11—C21—H21B	110.2	C42—C32—H32B	110.3
H21A—C21—H21B	108.5	H32A—C32—H32B	108.6
O21—C31—C41	106.1 (3)	O32—C42—C32	106.7 (3)
O21—C31—H31A	110.5	O32—C42—H42A	110.4
C41—C31—H31A	110.5	C32—C42—H42A	110.4
O21—C31—H31B	110.5	O32—C42—H42B	110.4
C41—C31—H31B	110.5	C32—C42—H42B	110.4
H31A—C31—H31B	108.7	H42A—C42—H42B	108.6
O31—C41—C31	107.0 (3)	O32—C52—C62	106.9 (4)
O31—C41—H41A	110.3	O32—C52—H52A	110.3
C31—C41—H41A	110.3	C62—C52—H52A	110.3
O31—C41—H41B	110.3	O32—C52—H52B	110.3
C31—C41—H41B	110.3	C62—C52—H52B	110.3
H41A—C41—H41B	108.6	H52A—C52—H52B	108.6
O31—C51—C61	107.2 (3)	O42—C62—C52	108.0 (4)
O31—C51—H51A	110.3	O42—C62—H62A	110.1
C61—C51—H51A	110.3	C52—C62—H62A	110.1
O31—C51—H51B	110.3	O42—C62—H62B	110.1
C61—C51—H51B	110.3	C52—C62—H62B	110.1
H51A—C51—H51B	108.5	H62A—C62—H62B	108.4
O41—C61—C51	107.0 (3)	O42—C72—C82	107.6 (3)
O41—C61—H61A	110.3	O42—C72—H72A	110.2
C51—C61—H61A	110.3	C82—C72—H72A	110.2
O41—C61—H61B	110.3	O42—C72—H72B	110.2
C51—C61—H61B	110.3	C82—C72—H72B	110.2
H61A—C61—H61B	108.6	H72A—C72—H72B	108.5
O41—C71—C81	108.2 (3)	O52—C82—C72	108.9 (3)
O41—C71—H71A	110.1	O52—C82—H82A	109.9
C81—C71—H71A	110.1	C72—C82—H82A	109.9
O41—C71—H71B	110.1	O52—C82—H82B	109.9
C81—C71—H71B	110.1	C72—C82—H82B	109.9
H71A—C71—H71B	108.4	H82A—C82—H82B	108.3
O51—C81—C71	107.2 (3)	O52—C92—C102	107.4 (3)
O51—C81—H81A	110.3	O52—C92—H92A	110.2
C71—C81—H81A	110.3	C102—C92—H92A	110.2
O51—C81—H81B	110.3	O52—C92—H92B	110.2
C71—C81—H81B	110.3	C102—C92—H92B	110.2
H81A—C81—H81B	108.5	H92A—C92—H92B	108.5
O51—C91—C101	106.5 (3)	O12—C102—C92	106.6 (3)
O51—C91—H91A	110.4	O12—C102—H10C	110.4
C101—C91—H91A	110.4	C92—C102—H10C	110.4
O51—C91—H91B	110.4	O12—C102—H10D	110.4
C101—C91—H91B	110.4	C92—C102—H10D	110.4
H91A—C91—H91B	108.6	H10C—C102—H10D	108.6
O11—C101—C91	106.0 (3)	O91—N1—O101	119.3 (5)
O11—C101—H10A	110.5	O91—N1—O81	123.0 (5)
C91—C101—H10A	110.5	O101—N1—O81	117.6 (5)
O11—C101—H10B	110.5	O82—N2—O102	120.0 (4)
C91—C101—H10B	110.5	O82—N2—O92	120.8 (4)
H10A—C101—H10B	108.7	O102—N2—O92	119.1 (4)
O62—Cu2—O72	178.93 (12)	O83—N3—O93	122.4 (5)
O62—Cu2—O52	89.23 (11)	O83—N3—O103	118.7 (4)
O72—Cu2—O52	90.02 (11)	O93—N3—O103	118.8 (4)
O62—Cu2—O22	83.26 (13)	O94—N4—O84	122.1 (5)
O72—Cu2—O22	97.80 (13)	O94—N4—O104	118.1 (4)
O52—Cu2—O22	143.45 (10)	O84—N4—O104	119.8 (4)
O61—Cu1—O11—C101	61.6 (3)	O62—Cu2—O12—C12	−64.5 (3)
O71—Cu1—O11—C101	−116.8 (2)	O72—Cu2—O12—C12	116.5 (3)
O51—Cu1—O11—C101	−26.8 (2)	O52—Cu2—O12—C12	−152.7 (3)
O21—Cu1—O11—C101	144.0 (2)	O22—Cu2—O12—C12	17.6 (2)
O31—Cu1—O11—C101	166.2 (2)	O32—Cu2—O12—C12	40.8 (3)
O41—Cu1—O11—C101	−26.8 (3)	O42—Cu2—O12—C12	−154.1 (2)
O61—Cu1—O11—C11	−63.3 (3)	O62—Cu2—O12—C102	61.4 (3)
O71—Cu1—O11—C11	118.3 (3)	O72—Cu2—O12—C102	−117.7 (3)
O51—Cu1—O11—C11	−151.7 (3)	O52—Cu2—O12—C102	−26.8 (2)
O21—Cu1—O11—C11	19.1 (2)	O22—Cu2—O12—C102	143.4 (3)
O31—Cu1—O11—C11	41.3 (3)	O32—Cu2—O12—C102	166.6 (2)
O41—Cu1—O11—C11	−151.7 (2)	O42—Cu2—O12—C102	−28.3 (3)
O61—Cu1—O21—C21	107.9 (3)	O62—Cu2—O22—C32	−115.2 (3)
O71—Cu1—O21—C21	−70.5 (3)	O72—Cu2—O22—C32	64.6 (3)
O51—Cu1—O21—C21	28.6 (3)	O52—Cu2—O22—C32	165.3 (2)
O31—Cu1—O21—C21	−152.4 (3)	O32—Cu2—O22—C32	−16.2 (2)
O11—Cu1—O21—C21	13.8 (3)	O42—Cu2—O22—C32	−38.8 (3)
O41—Cu1—O21—C21	−175.5 (2)	O12—Cu2—O22—C32	149.7 (3)
O61—Cu1—O21—C31	−117.1 (3)	O62—Cu2—O22—C22	109.9 (3)
O71—Cu1—O21—C31	64.4 (3)	O72—Cu2—O22—C22	−70.3 (3)
O51—Cu1—O21—C31	163.6 (2)	O52—Cu2—O22—C22	30.4 (3)
O31—Cu1—O21—C31	−17.5 (2)	O32—Cu2—O22—C22	−151.1 (3)
O11—Cu1—O21—C31	148.7 (3)	O42—Cu2—O22—C22	−173.7 (2)
O41—Cu1—O21—C31	−40.5 (3)	O12—Cu2—O22—C22	14.8 (3)
O61—Cu1—O31—C51	−66.3 (3)	O62—Cu2—O32—C42	64.4 (3)
O71—Cu1—O31—C51	113.0 (3)	O72—Cu2—O32—C42	−116.6 (3)
O51—Cu1—O31—C51	31.9 (3)	O52—Cu2—O32—C42	162.1 (2)
O21—Cu1—O31—C51	−147.1 (3)	O22—Cu2—O32—C42	−16.4 (2)
O11—Cu1—O31—C51	−169.3 (2)	O42—Cu2—O32—C42	149.7 (3)
O41—Cu1—O31—C51	18.9 (2)	O12—Cu2—O32—C42	−39.7 (3)
O61—Cu1—O31—C41	66.0 (3)	O62—Cu2—O32—C52	−66.3 (3)
O71—Cu1—O31—C41	−114.7 (3)	O72—Cu2—O32—C52	112.6 (3)
O51—Cu1—O31—C41	164.3 (2)	O52—Cu2—O32—C52	31.4 (3)
O21—Cu1—O31—C41	−14.7 (2)	O22—Cu2—O32—C52	−147.2 (3)
O11—Cu1—O31—C41	−36.9 (3)	O42—Cu2—O32—C52	19.0 (3)
O41—Cu1—O31—C41	151.2 (2)	O12—Cu2—O32—C52	−170.4 (2)
O61—Cu1—O41—C71	−120.5 (3)	O62—Cu2—O42—C72	−120.2 (2)
O71—Cu1—O41—C71	57.5 (3)	O72—Cu2—O42—C72	59.3 (2)
O51—Cu1—O41—C71	−30.7 (2)	O52—Cu2—O42—C72	−30.1 (2)
O21—Cu1—O41—C71	164.2 (2)	O22—Cu2—O42—C72	164.8 (2)
O31—Cu1—O41—C71	141.2 (3)	O32—Cu2—O42—C72	142.1 (3)
O11—Cu1—O41—C71	−30.6 (3)	O12—Cu2—O42—C72	−28.7 (3)
O61—Cu1—O41—C61	112.8 (3)	O62—Cu2—O42—C62	111.9 (3)
O71—Cu1—O41—C61	−69.2 (3)	O72—Cu2—O42—C62	−68.6 (3)
O51—Cu1—O41—C61	−157.3 (3)	O52—Cu2—O42—C62	−158.0 (3)
O21—Cu1—O41—C61	37.5 (3)	O22—Cu2—O42—C62	36.9 (4)
O31—Cu1—O41—C61	14.6 (3)	O32—Cu2—O42—C62	14.2 (3)
O11—Cu1—O41—C61	−157.3 (2)	O12—Cu2—O42—C62	−156.6 (3)
O61—Cu1—O51—C91	−96.6 (3)	O62—Cu2—O52—C82	92.2 (3)
O71—Cu1—O51—C91	82.8 (3)	O72—Cu2—O52—C82	−87.0 (3)
O21—Cu1—O51—C91	−19.2 (3)	O22—Cu2—O52—C82	169.8 (2)
O31—Cu1—O51—C91	162.5 (2)	O32—Cu2—O52—C82	−7.8 (3)
O11—Cu1—O51—C91	−4.3 (3)	O42—Cu2—O52—C82	4.7 (3)
O41—Cu1—O51—C91	175.7 (3)	O12—Cu2—O52—C82	−174.4 (3)
O61—Cu1—O51—C81	92.5 (3)	O62—Cu2—O52—C92	−95.7 (3)
O71—Cu1—O51—C81	−88.0 (3)	O72—Cu2—O52—C92	85.1 (3)
O21—Cu1—O51—C81	170.0 (2)	O22—Cu2—O52—C92	−18.1 (3)
O31—Cu1—O51—C81	−8.4 (3)	O32—Cu2—O52—C92	164.3 (2)
O11—Cu1—O51—C81	−175.1 (3)	O42—Cu2—O52—C92	176.8 (3)
O41—Cu1—O51—C81	4.8 (3)	O12—Cu2—O52—C92	−2.3 (3)
C101—O11—C11—C21	−169.1 (3)	C102—O12—C12—C22	−167.9 (3)
Cu1—O11—C11—C21	−47.4 (4)	Cu2—O12—C12—C22	−45.6 (4)
C31—O21—C21—C11	−178.3 (3)	C32—O22—C22—C12	−177.5 (3)
Cu1—O21—C21—C11	−43.6 (4)	Cu2—O22—C22—C12	−43.3 (4)
O11—C11—C21—O21	60.0 (4)	O12—C12—C22—O22	59.1 (5)
C21—O21—C31—C41	179.5 (3)	C22—O22—C32—C42	178.5 (3)
Cu1—O21—C31—C41	44.8 (3)	Cu2—O22—C32—C42	44.1 (4)
C51—O31—C41—C31	172.9 (3)	C52—O32—C42—C32	173.0 (3)
Cu1—O31—C41—C31	42.6 (3)	Cu2—O32—C42—C32	43.9 (4)
O21—C31—C41—O31	−55.7 (4)	O22—C32—C42—O32	−57.1 (4)
C41—O31—C51—C61	−180.0 (3)	C42—O32—C52—C62	−177.8 (4)
Cu1—O31—C51—C61	−48.6 (4)	Cu2—O32—C52—C62	−48.3 (4)
C71—O41—C61—C51	−167.2 (4)	C72—O42—C62—C52	−167.3 (4)
Cu1—O41—C61—C51	−44.0 (4)	Cu2—O42—C62—C52	−43.9 (5)
O31—C51—C61—O41	61.7 (5)	O32—C52—C62—O42	61.7 (5)
C61—O41—C71—C81	175.3 (4)	C62—O42—C72—C82	174.6 (4)
Cu1—O41—C71—C81	51.3 (4)	Cu2—O42—C72—C82	50.4 (4)
C91—O51—C81—C71	−151.0 (3)	C92—O52—C82—C72	−151.6 (3)
Cu1—O51—C81—C71	20.1 (4)	Cu2—O52—C82—C72	20.8 (4)
O41—C71—C81—O51	−46.5 (5)	O42—C72—C82—O52	−46.8 (5)
C81—O51—C91—C101	−156.1 (3)	C82—O52—C92—C102	−157.8 (3)
Cu1—O51—C91—C101	32.6 (4)	Cu2—O52—C92—C102	29.8 (4)
C11—O11—C101—C91	173.6 (3)	C12—O12—C102—C92	172.7 (3)
Cu1—O11—C101—C91	51.3 (3)	Cu2—O12—C102—C92	50.2 (4)
O51—C91—C101—O11	−54.3 (4)	O52—C92—C102—O12	−51.6 (4)

(CoZprime0.5) 'diaqua(15-crown-5)cobalt(II) nitrate'

Crystal data

C10H24CoO7^2+·2(NO3^−)	Dx = 1.628 Mg m^−3
Mr = 439.24	Cu Kα radiation, λ = 1.54178 Å
Tetragonal, P41212	Cell parameters from 8673 reflections
a = 8.110 (2) Å	θ = 4.9–67.6°
c = 27.247 (3) Å	µ = 8.17 mm^−1
V = 1791.9 (7) Å^3	T = 323 K
Z = 4	Block, purple
F(000) = 916	0.20 × 0.15 × 0.15 mm

Data collection

Bruker-Nonius X8 Proteum diffractometer	1635 independent reflections
Radiation source: fine-focus rotating anode	1509 reflections with I > 2σ(I)
Graded multi-layer optics monochromator	Rint = 0.063
Detector resolution: 18 pixels mm^-1	θmax = 68.2°, θmin = 5.7°
ω and φ scans	h = −9→9
Absorption correction: multi-scan SADABS in APEX2 (Bruker-Nonius, 2004)	k = −7→9
Tmin = 0.193, Tmax = 0.292	l = −32→32
21414 measured reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.041	w = 1/[σ^2(Fo^2) + (0.070P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.109	(Δ/σ)max < 0.001
S = 1.28	Δρmax = 0.34 e Å^−3
1635 reflections	Δρmin = −0.24 e Å^−3
170 parameters	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
18 restraints	Extinction coefficient: 0.0084 (9)
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Secondary atom site location: difference Fourier map	Absolute structure parameter: −0.007 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.58573 (5)	0.58573 (5)	0.0000	0.0379 (2)
O1	0.8251 (5)	0.5733 (5)	0.03369 (14)	0.0477 (10)	0.50
O2	0.5973 (6)	0.3524 (6)	0.0350 (2)	0.0701 (15)	0.50
O3	0.3420 (8)	0.4609 (6)	−0.0115 (2)	0.0681 (15)	0.50
O4	0.4313 (6)	0.7297 (5)	−0.05614 (17)	0.0511 (10)	0.50
O5	0.6944 (5)	0.8387 (5)	−0.00979 (13)	0.0437 (10)	0.50
O6	0.4950 (3)	0.6984 (3)	0.06273 (8)	0.0550 (6)
H106	0.418 (4)	0.763 (5)	0.0582 (15)	0.083*
H206	0.460 (5)	0.637 (5)	0.0844 (13)	0.083*
C1	0.8311 (11)	0.4581 (9)	0.0735 (3)	0.0586 (17)	0.50
H1A	0.7779	0.5049	0.1022	0.070*	0.50
H1B	0.9450	0.4342	0.0818	0.070*	0.50
C2	0.7452 (12)	0.3032 (10)	0.0586 (5)	0.0573 (19)	0.50
H2A	0.8137	0.2396	0.0364	0.069*	0.50
H2B	0.7207	0.2361	0.0872	0.069*	0.50
C3	0.4758 (14)	0.2300 (13)	0.0299 (5)	0.088 (3)	0.50
H3A	0.4327	0.2011	0.0620	0.105*	0.50
H3B	0.5245	0.1318	0.0156	0.105*	0.50
C4	0.3387 (10)	0.2892 (7)	−0.0020 (7)	0.084 (3)	0.50
H4A	0.3433	0.2306	−0.0330	0.101*	0.50
H4B	0.2346	0.2618	0.0136	0.101*	0.50
C5	0.2465 (13)	0.5141 (13)	−0.0520 (4)	0.088 (3)	0.50
H5A	0.1325	0.4801	−0.0483	0.105*	0.50
H5B	0.2892	0.4683	−0.0824	0.105*	0.50
C6	0.2596 (8)	0.6972 (12)	−0.0523 (5)	0.0573 (19)	0.50
H6A	0.2006	0.7435	−0.0800	0.069*	0.50
H6B	0.2151	0.7434	−0.0223	0.069*	0.50
C7	0.4679 (9)	0.9016 (7)	−0.0600 (3)	0.0586 (17)	0.50
H7A	0.4120	0.9626	−0.0343	0.070*	0.50
H7B	0.4321	0.9439	−0.0915	0.070*	0.50
C8	0.6515 (8)	0.9189 (12)	−0.0548 (3)	0.0567 (15)	0.50
H8A	0.7074	0.8671	−0.0822	0.068*	0.50
H8B	0.6826	1.0343	−0.0537	0.068*	0.50
C9	0.8672 (10)	0.8368 (15)	0.0011 (6)	0.055 (2)	0.50
H9A	0.9063	0.9479	0.0072	0.066*	0.50
H9B	0.9284	0.7915	−0.0264	0.066*	0.50
C10	0.8908 (11)	0.7320 (7)	0.0457 (3)	0.0567 (15)	0.50
H10A	1.0070	0.7235	0.0538	0.068*	0.50
H10B	0.8328	0.7789	0.0735	0.068*	0.50
N1	0.1916 (4)	−0.0059 (3)	0.09208 (9)	0.0498 (6)
O7	0.2398 (3)	−0.0706 (3)	0.05309 (8)	0.0610 (6)
O8	0.0505 (3)	0.0464 (4)	0.09653 (12)	0.0842 (9)
O9	0.2855 (5)	0.0056 (6)	0.12705 (11)	0.1103 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0365 (3)	0.0365 (3)	0.0407 (3)	−0.0056 (3)	0.0018 (2)	−0.0018 (2)
O1	0.047 (2)	0.049 (3)	0.047 (2)	−0.014 (2)	−0.0113 (17)	0.003 (2)
O2	0.052 (3)	0.053 (3)	0.105 (4)	−0.013 (2)	−0.018 (3)	0.020 (3)
O3	0.069 (3)	0.054 (3)	0.081 (3)	−0.026 (3)	−0.026 (3)	0.013 (2)
O4	0.046 (3)	0.044 (3)	0.063 (3)	0.000 (2)	−0.002 (2)	0.007 (2)
O5	0.043 (2)	0.043 (2)	0.045 (2)	−0.0058 (18)	−0.0042 (18)	0.0055 (17)
O6	0.0649 (16)	0.0536 (14)	0.0465 (11)	0.0107 (11)	0.0193 (11)	0.0042 (10)
C1	0.051 (5)	0.067 (3)	0.057 (4)	0.000 (4)	−0.014 (3)	0.011 (3)
C2	0.080 (6)	0.041 (5)	0.051 (3)	0.007 (4)	−0.026 (4)	−0.008 (4)
C3	0.082 (6)	0.047 (3)	0.134 (9)	−0.035 (3)	−0.010 (6)	0.009 (5)
C4	0.048 (6)	0.047 (6)	0.157 (8)	−0.008 (5)	0.002 (9)	−0.008 (8)
C5	0.047 (3)	0.082 (6)	0.134 (9)	−0.035 (3)	−0.009 (5)	0.010 (6)
C6	0.041 (5)	0.080 (6)	0.051 (3)	0.007 (4)	0.008 (4)	0.026 (4)
C7	0.067 (3)	0.051 (5)	0.057 (4)	0.000 (4)	−0.011 (3)	0.014 (3)
C8	0.055 (4)	0.052 (3)	0.063 (3)	−0.010 (4)	0.006 (3)	0.015 (2)
C9	0.046 (6)	0.054 (6)	0.066 (3)	−0.017 (4)	−0.010 (5)	0.012 (5)
C10	0.052 (3)	0.055 (4)	0.063 (3)	−0.010 (4)	−0.015 (2)	−0.006 (3)
N1	0.0504 (17)	0.0497 (16)	0.0493 (14)	−0.0030 (12)	0.0034 (11)	−0.0032 (12)
O7	0.0620 (15)	0.0618 (15)	0.0592 (13)	0.0014 (13)	0.0126 (11)	−0.0134 (11)
O8	0.0547 (17)	0.111 (2)	0.0865 (18)	0.0190 (15)	−0.0003 (13)	−0.0357 (18)
O9	0.091 (2)	0.175 (4)	0.0646 (16)	0.025 (2)	−0.0236 (17)	−0.019 (2)

Geometric parameters (Å, º)

Co1—O6	2.073 (2)	C3—C4	1.490 (5)
Co1—O2	2.121 (5)	C3—H3A	0.9700
Co1—O1	2.149 (4)	C3—H3B	0.9700
Co1—O3	2.243 (5)	C4—H4A	0.9700
Co1—O5	2.249 (4)	C4—H4B	0.9700
Co1—O4	2.296 (5)	C5—C6	1.488 (5)
O1—C10	1.431 (5)	C5—H5A	0.9700
O1—C1	1.433 (5)	C5—H5B	0.9700
O2—C3	1.406 (5)	C6—H6A	0.9700
O2—C2	1.419 (5)	C6—H6B	0.9700
O3—C4	1.417 (5)	C7—C8	1.502 (5)
O3—C5	1.416 (5)	C7—H7A	0.9700
O4—C7	1.429 (5)	C7—H7B	0.9700
O4—C6	1.420 (5)	C8—H8A	0.9700
O5—C8	1.430 (5)	C8—H8B	0.9700
O5—C9	1.432 (5)	C9—C10	1.496 (5)
O6—H106	0.83 (5)	C9—H9A	0.9700
O6—H206	0.82 (5)	C9—H9B	0.9700
C1—C2	1.493 (5)	C10—H10A	0.9700
C1—H1A	0.9700	C10—H10B	0.9700
C1—H1B	0.9700	N1—O8	1.226 (4)
C2—H2A	0.9700	N1—O9	1.223 (4)
C2—H2B	0.9700	N1—O7	1.248 (3)
O6—Co1—O2	92.21 (19)	O2—C3—H3B	109.5
O6—Co1—O1	89.36 (14)	C4—C3—H3B	109.5
O2—Co1—O1	74.11 (15)	H3A—C3—H3B	108.1
O6—Co1—O3	90.08 (18)	O3—C4—C3	114.2 (8)
O2—Co1—O3	72.50 (18)	O3—C4—H4A	108.7
O1—Co1—O3	146.55 (16)	C3—C4—H4A	108.7
O6—Co1—O5	80.50 (13)	O3—C4—H4B	108.7
O2—Co1—O5	148.21 (16)	C3—C4—H4B	108.7
O1—Co1—O5	74.90 (15)	H4A—C4—H4B	107.6
O3—Co1—O5	137.78 (17)	O3—C5—C6	105.6 (7)
O6—Co1—O4	97.57 (13)	O3—C5—H5A	110.6
O2—Co1—O4	141.01 (17)	C6—C5—H5A	110.6
O1—Co1—O4	143.23 (16)	O3—C5—H5B	110.6
O3—Co1—O4	69.85 (16)	C6—C5—H5B	110.6
O5—Co1—O4	70.79 (14)	H5A—C5—H5B	108.8
C10—O1—C1	113.6 (5)	O4—C6—C5	104.8 (7)
C10—O1—Co1	113.1 (4)	O4—C6—H6A	110.8
C1—O1—Co1	112.7 (4)	C5—C6—H6A	110.8
C3—O2—C2	116.0 (7)	O4—C6—H6B	110.8
C3—O2—Co1	123.7 (6)	C5—C6—H6B	110.8
C2—O2—Co1	119.5 (5)	H6A—C6—H6B	108.9
C4—O3—C5	115.6 (8)	O4—C7—C8	106.9 (6)
C4—O3—Co1	115.8 (5)	O4—C7—H7A	110.3
C5—O3—Co1	117.0 (5)	C8—C7—H7A	110.3
C7—O4—C6	113.0 (6)	O4—C7—H7B	110.3
C7—O4—Co1	115.5 (4)	C8—C7—H7B	110.3
C6—O4—Co1	113.0 (5)	H7A—C7—H7B	108.6
C8—O5—C9	114.8 (6)	O5—C8—C7	106.2 (5)
C8—O5—Co1	114.9 (4)	O5—C8—H8A	110.5
C9—O5—Co1	110.4 (4)	C7—C8—H8A	110.5
Co1—O6—H106	115 (3)	O5—C8—H8B	110.5
Co1—O6—H206	117 (3)	C7—C8—H8B	110.5
H106—O6—H206	103 (2)	H8A—C8—H8B	108.7
O1—C1—C2	109.1 (7)	O5—C9—C10	107.4 (7)
O1—C1—H1A	109.9	O5—C9—H9A	110.2
C2—C1—H1A	109.9	C10—C9—H9A	110.2
O1—C1—H1B	109.9	O5—C9—H9B	110.2
C2—C1—H1B	109.9	C10—C9—H9B	110.2
H1A—C1—H1B	108.3	H9A—C9—H9B	108.5
O2—C2—C1	106.3 (6)	O1—C10—C9	106.1 (6)
O2—C2—H2A	110.5	O1—C10—H10A	110.5
C1—C2—H2A	110.5	C9—C10—H10A	110.5
O2—C2—H2B	110.5	O1—C10—H10B	110.5
C1—C2—H2B	110.5	C9—C10—H10B	110.5
H2A—C2—H2B	108.7	H10A—C10—H10B	108.7
O2—C3—C4	110.7 (8)	O8—N1—O9	118.5 (3)
O2—C3—H3A	109.5	O8—N1—O7	121.4 (3)
C4—C3—H3A	109.5	O9—N1—O7	120.0 (3)
O6—Co1—O1—C10	−60.8 (5)	O3—Co1—O4—C6	21.8 (6)
O2—Co1—O1—C10	−153.3 (5)	O5—Co1—O4—C6	−142.7 (7)
O3—Co1—O1—C10	−150.0 (5)	O6—Co1—O5—C8	−123.2 (5)
O5—Co1—O1—C10	19.5 (5)	O2—Co1—O5—C8	158.1 (5)
O4—Co1—O1—C10	41.0 (6)	O1—Co1—O5—C8	144.9 (5)
O6—Co1—O1—C1	69.7 (4)	O3—Co1—O5—C8	−43.7 (5)
O2—Co1—O1—C1	−22.8 (5)	O4—Co1—O5—C8	−21.6 (4)
O3—Co1—O1—C1	−19.5 (6)	O6—Co1—O5—C9	105.0 (8)
O5—Co1—O1—C1	150.0 (5)	O2—Co1—O5—C9	26.3 (9)
O4—Co1—O1—C1	171.5 (4)	O1—Co1—O5—C9	13.1 (8)
O6—Co1—O2—C3	98.5 (9)	O3—Co1—O5—C9	−175.5 (8)
O1—Co1—O2—C3	−172.8 (10)	O4—Co1—O5—C9	−153.5 (8)
O3—Co1—O2—C3	9.1 (9)	C10—O1—C1—C2	174.6 (8)
O5—Co1—O2—C3	173.9 (9)	Co1—O1—C1—C2	44.3 (9)
O4—Co1—O2—C3	−6.4 (11)	C3—O2—C2—C1	−163.1 (9)
O6—Co1—O2—C2	−92.0 (8)	Co1—O2—C2—C1	26.6 (12)
O1—Co1—O2—C2	−3.3 (7)	O1—C1—C2—O2	−44.3 (12)
O3—Co1—O2—C2	178.6 (8)	C2—O2—C3—C4	−171.4 (11)
O5—Co1—O2—C2	−16.5 (10)	Co1—O2—C3—C4	−1.5 (17)
O4—Co1—O2—C2	163.1 (7)	C5—O3—C4—C3	162.3 (14)
O6—Co1—O3—C4	−107.8 (9)	Co1—O3—C4—C3	20.1 (16)
O2—Co1—O3—C4	−15.5 (9)	O2—C3—C4—O3	−12.4 (19)
O1—Co1—O3—C4	−18.8 (10)	C4—O3—C5—C6	176.0 (9)
O5—Co1—O3—C4	176.4 (8)	Co1—O3—C5—C6	−42.4 (10)
O4—Co1—O3—C4	154.2 (9)	C7—O4—C6—C5	176.4 (7)
O6—Co1—O3—C5	110.6 (7)	Co1—O4—C6—C5	−50.0 (9)
O2—Co1—O3—C5	−157.1 (8)	O3—C5—C6—O4	58.2 (10)
O1—Co1—O3—C5	−160.4 (7)	C6—O4—C7—C8	170.2 (8)
O5—Co1—O3—C5	34.8 (8)	Co1—O4—C7—C8	37.9 (7)
O4—Co1—O3—C5	12.6 (7)	C9—O5—C8—C7	177.9 (9)
O6—Co1—O4—C7	66.8 (5)	Co1—O5—C8—C7	48.2 (8)
O2—Co1—O4—C7	169.8 (5)	O4—C7—C8—O5	−54.3 (9)
O1—Co1—O4—C7	−32.4 (6)	C8—O5—C9—C10	−173.4 (9)
O3—Co1—O4—C7	154.1 (5)	Co1—O5—C9—C10	−41.5 (12)
O5—Co1—O4—C7	−10.3 (4)	C1—O1—C10—C9	−177.4 (8)
O6—Co1—O4—C6	−65.5 (6)	Co1—O1—C10—C9	−47.4 (8)
O2—Co1—O4—C6	37.5 (7)	O5—C9—C10—O1	58.0 (12)
O1—Co1—O4—C6	−164.7 (6)