The penta­coordinated [Cr(CO)₅]^2- dianion in [2,2,2-crypt-K]₂[Cr(CO)₅] ethyl­ene­diamine monosolvate

Bis[(4,7,13,16,21,24-hexa­oxa-1,10-diaza­bicyclo­[8.8.8]hexacosane)potassium(+)] penta­carbonyl­chromate(2-) ethyl­ene­diamine monosolvate, [K(C₁₈H₃₆N₂O₆)]₂[Cr(CO)₅]·C₂H₈N₂, was obtained from the reaction between K₃Cd₂Sb₂ and Cr(CO)₆ in ethyl­enediamine in the presence of the macrocyclic 2,2,2-crypt ligand. The structure provides the first crystallographic characterization of the penta­coordinated [Cr(CO)₅]^2- dianion. The central Cr^III atom is coordinated by five carbonyl ligands in a distorted trigonal-bipyramidal geometry. The distribution of the Cr-C bond lengths indicates a greater degree of back bonding from Cr^III to the equatorial carbonyl ligands compared with the axial carbonyl ligands.

Computing details

Data collection: CrystalClear (Rigaku, 2008); cell refinement: CrystalClear (Rigaku, 2008); data reduction: CrystalClear (Rigaku, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(+)] pentacarbonylchromate(2-) ethylenediamine monosolvate

Crystal data

[K(C18H36N2O6)]2[Cr(CO)5]·C2H8N2	Z = 1
Mr = 1083.33	F(000) = 578
Triclinic, P1	Dx = 1.326 Mg m^−3
Hall symbol: P 1	Mo Kα radiation, λ = 0.71073 Å
a = 11.034 (3) Å	Cell parameters from 3395 reflections
b = 11.741 (4) Å	θ = 3.3–27.5°
c = 12.818 (3) Å	µ = 0.43 mm^−1
α = 63.883 (7)°	T = 293 K
β = 66.841 (10)°	Prism, red
γ = 86.820 (13)°	0.42 × 0.41 × 0.28 mm
V = 1356.9 (7) Å^3

Data collection

Rigaku Saturn 70 CCD area-detector diffractometer	7850 independent reflections
Radiation source: fine-focus sealed tube	5037 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.045
φ and ω scans	θmax = 27.5°, θmin = 2.5°
Absorption correction: multi-scan (CrystalClear; Rigaku, 2008)	h = −14→10
Tmin = 0.838, Tmax = 0.888	k = −15→14
10684 measured reflections	l = −16→15

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)] = 0.048	H-atom parameters constrained
wR(F^2) = 0.120	w = 1/[σ^2(Fo^2) + (0.0604P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.96	(Δ/σ)max = 0.001
7850 reflections	Δρmax = 0.36 e Å^−3
623 parameters	Δρmin = −0.28 e Å^−3
3 restraints	Absolute structure: Flack (1983), with how many Friedel pairs?
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.49 (3)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
Cr1	0.80701 (7)	0.81576 (6)	0.87888 (7)	0.0552 (2)
K1	0.20830 (8)	0.47631 (7)	0.46529 (8)	0.0497 (2)
K2	0.13116 (8)	0.15982 (8)	0.11966 (8)	0.0494 (2)
O1	0.8992 (5)	0.6286 (4)	1.0730 (4)	0.0998 (14)
O2	0.6560 (5)	0.9025 (5)	1.0769 (4)	0.1049 (15)
O3	0.7004 (4)	1.0345 (4)	0.7177 (4)	0.0862 (12)
O4	1.0958 (4)	0.9069 (4)	0.7017 (4)	0.0912 (12)
O5	0.6768 (4)	0.6096 (4)	0.8637 (4)	0.0958 (13)
O6	0.3662 (4)	0.6916 (4)	0.4149 (4)	0.0812 (11)
O7	0.0917 (3)	0.6581 (3)	0.5440 (4)	0.0720 (10)
O8	0.0950 (3)	0.5281 (3)	0.2902 (3)	0.0640 (8)
O9	0.3582 (3)	0.4736 (3)	0.2269 (3)	0.0585 (8)
O10	0.0385 (3)	0.2551 (3)	0.6718 (3)	0.0615 (8)
O11	0.3106 (3)	0.2768 (3)	0.6247 (3)	0.0658 (9)
O12	0.2472 (3)	0.1148 (3)	0.2938 (3)	0.0563 (7)
O13	−0.0182 (3)	0.1629 (3)	0.3578 (3)	0.0570 (8)
O14	0.0233 (4)	0.3521 (3)	−0.0386 (3)	0.0659 (9)
O15	0.2957 (3)	0.3905 (3)	−0.0877 (3)	0.0697 (9)
O16	0.2582 (4)	−0.0109 (3)	0.0249 (4)	0.0732 (10)
O17	−0.0169 (4)	−0.0621 (3)	0.1745 (4)	0.0793 (11)
N1	0.5008 (4)	0.4781 (4)	0.3793 (4)	0.0603 (10)
N2	−0.0813 (4)	0.4743 (4)	0.5546 (4)	0.0555 (9)
N3	0.4215 (4)	0.1744 (4)	0.0292 (4)	0.0585 (10)
N4	−0.1582 (4)	0.1466 (4)	0.2085 (4)	0.0570 (10)
C1	0.8633 (5)	0.6991 (4)	0.9975 (5)	0.0636 (12)
C2	0.7159 (6)	0.8695 (5)	0.9985 (5)	0.0698 (13)
C3	0.7445 (5)	0.9479 (5)	0.7768 (4)	0.0617 (12)
C4	0.9811 (5)	0.8732 (5)	0.7690 (5)	0.0669 (13)
C5	0.7278 (5)	0.6913 (5)	0.8690 (4)	0.0672 (12)
C6	0.5637 (5)	0.6098 (5)	0.3279 (6)	0.0762 (15)
H6A	0.5628	0.6616	0.2429	0.091*
H6B	0.6579	0.6077	0.3157	0.091*
C7	0.4994 (6)	0.6755 (6)	0.4087 (7)	0.092 (2)
H7A	0.4956	0.6235	0.4954	0.111*
H7B	0.5520	0.7601	0.3713	0.111*
C8	0.3033 (6)	0.7609 (5)	0.4817 (6)	0.0787 (16)
H8A	0.3574	0.8456	0.4405	0.094*
H8B	0.2961	0.7144	0.5702	0.094*
C9	0.1719 (7)	0.7786 (5)	0.4835 (6)	0.0807 (16)
H9A	0.1295	0.8289	0.5299	0.097*
H9B	0.1792	0.8271	0.3951	0.097*
C10	−0.0433 (7)	0.6742 (6)	0.5664 (7)	0.0855 (18)
H10A	−0.0504	0.7282	0.4847	0.103*
H10B	−0.0774	0.7174	0.6215	0.103*
C11	−0.1241 (5)	0.5442 (6)	0.6307 (6)	0.0809 (17)
H11A	−0.1176	0.4924	0.7131	0.097*
H11B	−0.2187	0.5549	0.6491	0.097*
C12	−0.1127 (6)	0.5363 (6)	0.4412 (6)	0.0738 (14)
H12A	−0.0870	0.6301	0.4019	0.089*
H12B	−0.2102	0.5199	0.4696	0.089*
C13	−0.0450 (6)	0.4920 (5)	0.3423 (5)	0.0722 (14)
H13A	−0.0660	0.3977	0.3810	0.087*
H13B	−0.0774	0.5312	0.2739	0.087*
C14	0.1638 (6)	0.5027 (5)	0.1860 (5)	0.0699 (14)
H14A	0.1313	0.5497	0.1186	0.084*
H14B	0.1464	0.4099	0.2135	0.084*
C15	0.3075 (6)	0.5424 (5)	0.1348 (5)	0.0746 (16)
H15A	0.3541	0.5277	0.0592	0.090*
H15B	0.3245	0.6353	0.1074	0.090*
C16	0.5002 (5)	0.5040 (5)	0.1760 (5)	0.0721 (15)
H16A	0.5251	0.5979	0.1365	0.086*
H16B	0.5432	0.4758	0.1092	0.086*
C17	0.5476 (5)	0.4395 (5)	0.2784 (5)	0.0674 (14)
H17A	0.5204	0.3461	0.3174	0.081*
H17B	0.6462	0.4553	0.2389	0.081*
C18	−0.1483 (5)	0.3414 (5)	0.6316 (5)	0.0674 (13)
H18A	−0.1347	0.3018	0.5745	0.081*
H18B	−0.2451	0.3416	0.6735	0.081*
C19	−0.0999 (5)	0.2614 (5)	0.7313 (5)	0.0704 (14)
H19A	−0.1138	0.2993	0.7898	0.085*
H19B	−0.1507	0.1740	0.7818	0.085*
C20	0.0860 (5)	0.1744 (5)	0.7650 (5)	0.0685 (13)
H20A	0.0290	0.0900	0.8193	0.082*
H20B	0.0826	0.2136	0.8203	0.082*
C21	0.2246 (5)	0.1578 (5)	0.6994 (5)	0.0717 (14)
H21A	0.2563	0.0981	0.7634	0.086*
H21B	0.2273	0.1194	0.6436	0.086*
C22	0.4439 (6)	0.2624 (6)	0.5663 (6)	0.0811 (17)
H22A	0.4511	0.2211	0.5118	0.097*
H22B	0.4750	0.2065	0.6324	0.097*
C23	0.5292 (5)	0.3892 (6)	0.4875 (5)	0.0753 (15)
H23A	0.5190	0.4300	0.5430	0.090*
H23B	0.6233	0.3754	0.4548	0.090*
C24	0.4542 (5)	0.1093 (5)	0.1391 (5)	0.0673 (13)
H24A	0.5519	0.1255	0.1098	0.081*
H24B	0.4287	0.0159	0.1757	0.081*
C25	0.3873 (5)	0.1497 (5)	0.2426 (6)	0.0691 (14)
H25A	0.4197	0.1070	0.3106	0.083*
H25B	0.4089	0.2436	0.2070	0.083*
C26	0.1767 (5)	0.1420 (5)	0.3985 (5)	0.0651 (13)
H26A	0.1910	0.2355	0.3693	0.078*
H26B	0.2111	0.0987	0.4650	0.078*
C27	0.0333 (5)	0.0972 (5)	0.4523 (4)	0.0620 (12)
H27A	0.0189	0.0038	0.4816	0.074*
H27B	−0.0145	0.1136	0.5267	0.074*
C28	−0.1573 (5)	0.1270 (6)	0.4095 (5)	0.0721 (14)
H28A	−0.2024	0.1536	0.4772	0.087*
H28B	−0.1779	0.0326	0.4483	0.087*
C29	−0.2072 (5)	0.1885 (6)	0.3081 (5)	0.0710 (14)
H29A	−0.3057	0.1709	0.3483	0.085*
H29B	−0.1817	0.2824	0.2675	0.085*
C30	−0.1935 (6)	0.2320 (5)	0.1014 (6)	0.0734 (14)
H30A	−0.2888	0.2415	0.1364	0.088*
H30B	−0.1813	0.1909	0.0457	0.088*
C31	−0.1117 (6)	0.3634 (5)	0.0219 (6)	0.0735 (14)
H31A	−0.1447	0.4179	−0.0431	0.088*
H31B	−0.1202	0.4043	0.0770	0.088*
C32	0.1058 (6)	0.4737 (5)	−0.1173 (5)	0.0767 (15)
H32A	0.1013	0.5165	−0.0646	0.092*
H32B	0.0734	0.5288	−0.1825	0.092*
C33	0.2440 (6)	0.4571 (5)	−0.1799 (5)	0.0754 (15)
H33A	0.2476	0.4084	−0.2272	0.091*
H33B	0.2986	0.5420	−0.2416	0.091*
C34	0.4351 (6)	0.3892 (5)	−0.1444 (6)	0.0831 (18)
H34A	0.4826	0.4778	−0.1911	0.100*
H34B	0.4547	0.3545	−0.2062	0.100*
C35	0.4827 (5)	0.3092 (5)	−0.0449 (6)	0.0805 (17)
H35A	0.5803	0.3127	−0.0863	0.097*
H35B	0.4650	0.3467	0.0145	0.097*
C36	0.4675 (5)	0.1079 (5)	−0.0498 (5)	0.0695 (14)
H36A	0.5628	0.1003	−0.0689	0.083*
H36B	0.4606	0.1613	−0.1318	0.083*
C37	0.3942 (6)	−0.0207 (6)	0.0074 (6)	0.0760 (15)
H37A	0.4358	−0.0614	−0.0489	0.091*
H37B	0.3980	−0.0749	0.0907	0.091*
C38	0.1836 (6)	−0.1330 (5)	0.0871 (6)	0.0826 (17)
H38A	0.1804	−0.1798	0.1742	0.099*
H38B	0.2271	−0.1824	0.0400	0.099*
C39	0.0506 (7)	−0.1219 (5)	0.0942 (6)	0.0852 (18)
H39A	0.0018	−0.2079	0.1298	0.102*
H39B	0.0536	−0.0696	0.0077	0.102*
C40	−0.1469 (6)	−0.0489 (6)	0.1761 (7)	0.0891 (18)
H40A	−0.1965	−0.1344	0.2110	0.107*
H40B	−0.1400	0.0031	0.0882	0.107*
C41	−0.2196 (5)	0.0150 (5)	0.2571 (6)	0.0760 (15)
H41A	−0.3120	0.0171	0.2637	0.091*
H41B	−0.2239	−0.0373	0.3440	0.091*
N5	0.3144 (13)	0.7557 (10)	0.8075 (11)	0.218 (5)
H51	0.2610	0.7377	0.8876	0.327*
H52	0.2705	0.7901	0.7582	0.327*
N6	0.6100 (12)	0.8010 (12)	0.6106 (10)	0.216 (5)
H61	0.5744	0.7203	0.6430	0.324*
H62	0.6595	0.8043	0.6500	0.324*
C42	0.4196 (9)	0.8366 (13)	0.7623 (13)	0.169 (5)
H42A	0.4702	0.7970	0.8153	0.203*
H42B	0.3896	0.9133	0.7731	0.203*
C43	0.5086 (15)	0.8783 (13)	0.6327 (13)	0.192 (5)
H43A	0.5516	0.9666	0.5981	0.230*
H43B	0.4562	0.8819	0.5842	0.230*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cr1	0.0637 (5)	0.0497 (4)	0.0437 (4)	0.0022 (3)	−0.0199 (3)	−0.0155 (3)
K1	0.0513 (6)	0.0453 (5)	0.0477 (5)	0.0013 (4)	−0.0150 (4)	−0.0213 (4)
K2	0.0492 (6)	0.0468 (5)	0.0494 (5)	0.0045 (4)	−0.0166 (4)	−0.0224 (4)
O1	0.143 (4)	0.081 (3)	0.097 (3)	0.048 (3)	−0.080 (3)	−0.036 (2)
O2	0.138 (4)	0.126 (4)	0.097 (3)	0.077 (3)	−0.069 (3)	−0.078 (3)
O3	0.102 (3)	0.079 (3)	0.061 (2)	0.024 (2)	−0.036 (2)	−0.016 (2)
O4	0.065 (2)	0.095 (3)	0.082 (3)	−0.0093 (19)	−0.017 (2)	−0.024 (2)
O5	0.115 (3)	0.096 (3)	0.070 (2)	−0.027 (2)	−0.016 (2)	−0.047 (2)
O6	0.066 (3)	0.080 (2)	0.108 (3)	−0.0031 (17)	−0.0214 (19)	−0.061 (2)
O7	0.070 (2)	0.0508 (19)	0.093 (3)	0.0121 (15)	−0.0247 (18)	−0.0397 (19)
O8	0.072 (2)	0.071 (2)	0.0575 (19)	0.0138 (16)	−0.0331 (16)	−0.0315 (17)
O9	0.068 (2)	0.0500 (17)	0.0420 (16)	0.0069 (14)	−0.0163 (13)	−0.0136 (14)
O10	0.066 (2)	0.0502 (17)	0.0475 (17)	−0.0016 (14)	−0.0173 (14)	−0.0094 (14)
O11	0.066 (2)	0.0565 (19)	0.064 (2)	0.0077 (15)	−0.0249 (16)	−0.0203 (17)
O12	0.056 (2)	0.0640 (19)	0.0538 (17)	0.0062 (14)	−0.0233 (14)	−0.0298 (15)
O13	0.061 (2)	0.0561 (18)	0.0423 (16)	0.0098 (14)	−0.0191 (13)	−0.0153 (14)
O14	0.074 (2)	0.0536 (18)	0.065 (2)	0.0093 (15)	−0.0297 (17)	−0.0214 (17)
O15	0.074 (2)	0.0560 (19)	0.0502 (18)	−0.0008 (15)	−0.0156 (15)	−0.0079 (16)
O16	0.080 (3)	0.0495 (19)	0.088 (3)	0.0058 (16)	−0.0248 (18)	−0.0378 (19)
O17	0.056 (2)	0.060 (2)	0.119 (3)	0.0019 (15)	−0.0267 (19)	−0.047 (2)
N1	0.046 (2)	0.057 (2)	0.073 (3)	−0.0009 (17)	−0.0161 (18)	−0.033 (2)
N2	0.048 (2)	0.056 (2)	0.058 (2)	0.0056 (16)	−0.0178 (16)	−0.0249 (19)
N3	0.052 (2)	0.053 (2)	0.070 (2)	0.0079 (16)	−0.0190 (18)	−0.032 (2)
N4	0.050 (2)	0.057 (2)	0.054 (2)	0.0020 (17)	−0.0144 (17)	−0.0225 (19)
C1	0.081 (3)	0.054 (3)	0.059 (3)	0.012 (2)	−0.027 (2)	−0.030 (2)
C2	0.097 (4)	0.066 (3)	0.061 (3)	0.034 (3)	−0.048 (3)	−0.030 (2)
C3	0.061 (3)	0.068 (3)	0.044 (2)	0.001 (2)	−0.0121 (19)	−0.022 (2)
C4	0.072 (4)	0.066 (3)	0.051 (3)	−0.001 (2)	−0.023 (2)	−0.017 (2)
C5	0.081 (3)	0.064 (3)	0.043 (2)	−0.006 (2)	−0.016 (2)	−0.020 (2)
C6	0.055 (3)	0.075 (3)	0.094 (4)	−0.011 (2)	−0.017 (3)	−0.043 (3)
C7	0.077 (5)	0.082 (4)	0.119 (5)	−0.018 (3)	−0.027 (3)	−0.056 (4)
C8	0.094 (5)	0.052 (3)	0.089 (4)	−0.003 (3)	−0.034 (3)	−0.032 (3)
C9	0.111 (5)	0.044 (3)	0.088 (4)	0.009 (3)	−0.040 (3)	−0.032 (3)
C10	0.094 (5)	0.070 (3)	0.102 (5)	0.021 (3)	−0.028 (3)	−0.058 (3)
C11	0.066 (4)	0.085 (4)	0.082 (4)	0.008 (3)	−0.007 (3)	−0.050 (3)
C12	0.060 (3)	0.077 (4)	0.080 (4)	0.015 (3)	−0.036 (3)	−0.027 (3)
C13	0.078 (4)	0.075 (3)	0.073 (3)	0.011 (3)	−0.052 (3)	−0.024 (3)
C14	0.104 (4)	0.067 (3)	0.055 (3)	0.034 (3)	−0.049 (3)	−0.029 (2)
C15	0.110 (5)	0.060 (3)	0.045 (3)	0.034 (3)	−0.030 (3)	−0.021 (2)
C16	0.065 (3)	0.066 (3)	0.058 (3)	−0.009 (2)	0.004 (2)	−0.028 (3)
C17	0.051 (3)	0.069 (3)	0.079 (4)	0.008 (2)	−0.012 (2)	−0.044 (3)
C18	0.051 (3)	0.069 (3)	0.062 (3)	−0.009 (2)	−0.013 (2)	−0.021 (3)
C19	0.060 (3)	0.067 (3)	0.052 (3)	−0.012 (2)	−0.006 (2)	−0.013 (2)
C20	0.082 (4)	0.057 (3)	0.053 (3)	−0.003 (2)	−0.026 (2)	−0.015 (2)
C21	0.094 (4)	0.051 (3)	0.064 (3)	0.006 (2)	−0.038 (3)	−0.017 (2)
C22	0.080 (4)	0.079 (4)	0.084 (4)	0.025 (3)	−0.047 (3)	−0.028 (3)
C23	0.053 (3)	0.091 (4)	0.081 (4)	0.004 (3)	−0.029 (3)	−0.036 (3)
C24	0.050 (3)	0.077 (3)	0.086 (4)	0.018 (2)	−0.034 (2)	−0.042 (3)
C25	0.053 (3)	0.077 (3)	0.082 (4)	0.002 (2)	−0.027 (2)	−0.040 (3)
C26	0.085 (4)	0.063 (3)	0.057 (3)	0.015 (3)	−0.037 (2)	−0.029 (2)
C27	0.074 (3)	0.053 (3)	0.042 (2)	0.011 (2)	−0.020 (2)	−0.012 (2)
C28	0.064 (3)	0.086 (4)	0.054 (3)	0.008 (3)	−0.013 (2)	−0.032 (3)
C29	0.048 (3)	0.086 (4)	0.074 (3)	0.018 (2)	−0.024 (2)	−0.035 (3)
C30	0.066 (4)	0.079 (4)	0.081 (4)	0.017 (3)	−0.043 (3)	−0.031 (3)
C31	0.078 (4)	0.072 (3)	0.076 (3)	0.020 (3)	−0.044 (3)	−0.029 (3)
C32	0.097 (5)	0.048 (3)	0.071 (3)	0.005 (3)	−0.044 (3)	−0.007 (2)
C33	0.088 (4)	0.057 (3)	0.058 (3)	−0.008 (3)	−0.022 (3)	−0.010 (2)
C34	0.072 (4)	0.057 (3)	0.070 (3)	−0.004 (2)	−0.001 (3)	−0.012 (3)
C35	0.050 (3)	0.059 (3)	0.099 (4)	−0.009 (2)	−0.006 (3)	−0.029 (3)
C36	0.059 (3)	0.079 (3)	0.065 (3)	0.011 (2)	−0.011 (2)	−0.041 (3)
C37	0.067 (4)	0.081 (4)	0.095 (4)	0.033 (3)	−0.030 (3)	−0.058 (3)
C38	0.085 (4)	0.063 (3)	0.104 (5)	0.010 (3)	−0.030 (3)	−0.050 (3)
C39	0.124 (6)	0.052 (3)	0.093 (4)	0.002 (3)	−0.051 (4)	−0.037 (3)
C40	0.074 (4)	0.079 (4)	0.115 (5)	−0.008 (3)	−0.034 (3)	−0.046 (4)
C41	0.051 (3)	0.066 (3)	0.088 (4)	−0.006 (2)	−0.015 (2)	−0.026 (3)
N5	0.217 (12)	0.187 (10)	0.174 (10)	−0.020 (8)	−0.078 (8)	−0.017 (8)
N6	0.260 (12)	0.242 (12)	0.125 (8)	0.080 (10)	−0.045 (7)	−0.100 (8)
C42	0.073 (6)	0.232 (12)	0.196 (12)	−0.021 (6)	−0.020 (6)	−0.119 (10)
C43	0.196 (12)	0.197 (13)	0.166 (12)	−0.032 (10)	−0.032 (10)	−0.099 (11)

Geometric parameters (Å, º)

Cr1—C1	1.841 (5)	C14—C15	1.468 (8)
Cr1—C2	1.824 (5)	C14—H14A	0.9900
Cr1—C3	1.844 (5)	C14—H14B	0.9900
Cr1—C4	1.819 (5)	C15—H15A	0.9900
Cr1—C5	1.818 (5)	C15—H15B	0.9900
K1—O7	2.793 (3)	C16—C17	1.480 (8)
K1—O10	2.802 (3)	C16—H16A	0.9900
K1—O8	2.809 (4)	C16—H16B	0.9900
K1—O6	2.830 (4)	C17—H17A	0.9900
K1—O9	2.860 (3)	C17—H17B	0.9900
K1—O11	2.872 (4)	C18—C19	1.491 (8)
K1—N2	2.938 (4)	C18—H18A	0.9900
K1—N1	2.970 (4)	C18—H18B	0.9900
K2—O17	2.812 (4)	C19—H19A	0.9900
K2—O16	2.820 (3)	C19—H19B	0.9900
K2—O12	2.834 (3)	C20—C21	1.478 (7)
K2—O15	2.848 (3)	C20—H20A	0.9900
K2—O13	2.858 (3)	C20—H20B	0.9900
K2—O14	2.863 (4)	C21—H21A	0.9900
K2—N4	2.925 (4)	C21—H21B	0.9900
K2—N3	2.933 (4)	C22—C23	1.485 (8)
O1—C1	1.157 (6)	C22—H22A	0.9900
O2—C2	1.179 (6)	C22—H22B	0.9900
O3—C3	1.184 (6)	C23—H23A	0.9900
O4—C4	1.183 (6)	C23—H23B	0.9900
O5—C5	1.178 (6)	C24—C25	1.508 (7)
O6—C8	1.400 (6)	C24—H24A	0.9900
O6—C7	1.447 (8)	C24—H24B	0.9900
O7—C10	1.421 (7)	C25—H25A	0.9900
O7—C9	1.421 (6)	C25—H25B	0.9900
O8—C14	1.405 (6)	C26—C27	1.474 (7)
O8—C13	1.423 (6)	C26—H26A	0.9900
O9—C15	1.410 (6)	C26—H26B	0.9900
O9—C16	1.436 (6)	C27—H27A	0.9900
O10—C19	1.428 (6)	C27—H27B	0.9900
O10—C20	1.429 (6)	C28—C29	1.486 (7)
O11—C22	1.404 (6)	C28—H28A	0.9900
O11—C21	1.423 (6)	C28—H28B	0.9900
O12—C25	1.423 (6)	C29—H29A	0.9900
O12—C26	1.427 (5)	C29—H29B	0.9900
O13—C28	1.413 (6)	C30—C31	1.510 (8)
O13—C27	1.434 (6)	C30—H30A	0.9900
O14—C31	1.414 (6)	C30—H30B	0.9900
O14—C32	1.428 (6)	C31—H31A	0.9900
O15—C33	1.414 (7)	C31—H31B	0.9900
O15—C34	1.422 (6)	C32—C33	1.466 (7)
O16—C38	1.406 (6)	C32—H32A	0.9900
O16—C37	1.433 (7)	C32—H32B	0.9900
O17—C40	1.428 (7)	C33—H33A	0.9900
O17—C39	1.443 (7)	C33—H33B	0.9900
N1—C17	1.452 (6)	C34—C35	1.484 (9)
N1—C23	1.463 (7)	C34—H34A	0.9900
N1—C6	1.473 (6)	C34—H34B	0.9900
N2—C11	1.466 (6)	C35—H35A	0.9900
N2—C18	1.467 (6)	C35—H35B	0.9900
N2—C12	1.482 (7)	C36—C37	1.472 (8)
N3—C24	1.456 (7)	C36—H36A	0.9900
N3—C36	1.462 (6)	C36—H36B	0.9900
N3—C35	1.467 (6)	C37—H37A	0.9900
N4—C29	1.465 (6)	C37—H37B	0.9900
N4—C41	1.473 (6)	C38—C39	1.436 (9)
N4—C30	1.485 (7)	C38—H38A	0.9900
C6—C7	1.495 (8)	C38—H38B	0.9900
C6—H6A	0.9900	C39—H39A	0.9900
C6—H6B	0.9900	C39—H39B	0.9900
C7—H7A	0.9900	C40—C41	1.499 (8)
C7—H7B	0.9900	C40—H40A	0.9900
C8—C9	1.445 (9)	C40—H40B	0.9900
C8—H8A	0.9900	C41—H41A	0.9900
C8—H8B	0.9900	C41—H41B	0.9900
C9—H9A	0.9900	N5—C42	1.301 (12)
C9—H9B	0.9900	N5—H51	0.8900
C10—C11	1.506 (8)	N5—H52	0.8900
C10—H10A	0.9900	N6—C43	1.421 (16)
C10—H10B	0.9900	N6—H61	0.8900
C11—H11A	0.9900	N6—H62	0.8900
C11—H11B	0.9900	C42—C43	1.420 (15)
C12—C13	1.493 (8)	C42—H42A	0.9900
C12—H12A	0.9900	C42—H42B	0.9900
C12—H12B	0.9900	C43—H43A	0.9900
C13—H13A	0.9900	C43—H43B	0.9900
C13—H13B	0.9900
C1—Cr1—C2	86.4 (2)	C15—C14—H14B	109.6
C1—Cr1—C3	170.0 (2)	H14A—C14—H14B	108.1
C1—Cr1—C4	88.1 (2)	O9—C15—C14	111.1 (4)
C1—Cr1—C5	93.0 (2)	O9—C15—H15A	109.4
C2—Cr1—C3	84.2 (2)	C14—C15—H15A	109.4
C2—Cr1—C4	124.0 (3)	O9—C15—H15B	109.4
C2—Cr1—C5	120.5 (2)	C14—C15—H15B	109.4
C3—Cr1—C4	94.3 (2)	H15A—C15—H15B	108.0
C3—Cr1—C5	94.8 (2)	O9—C16—C17	110.3 (4)
C4—Cr1—C5	115.4 (2)	O9—C16—H16A	109.6
O7—K1—O10	99.17 (11)	C17—C16—H16A	109.6
O7—K1—O8	95.49 (11)	O9—C16—H16B	109.6
O10—K1—O8	100.50 (11)	C17—C16—H16B	109.6
O7—K1—O6	59.06 (11)	H16A—C16—H16B	108.1
O10—K1—O6	140.06 (12)	N1—C17—C16	116.2 (4)
O8—K1—O6	113.74 (12)	N1—C17—H17A	108.2
O7—K1—O9	136.20 (10)	C16—C17—H17A	108.2
O10—K1—O9	119.21 (10)	N1—C17—H17B	108.2
O8—K1—O9	59.42 (10)	C16—C17—H17B	108.2
O6—K1—O9	96.41 (10)	H17A—C17—H17B	107.4
O7—K1—O11	118.25 (12)	N2—C18—C19	113.6 (4)
O10—K1—O11	59.67 (10)	N2—C18—H18A	108.8
O8—K1—O11	142.06 (10)	C19—C18—H18A	108.8
O6—K1—O11	99.12 (13)	N2—C18—H18B	108.8
O9—K1—O11	100.00 (10)	C19—C18—H18B	108.8
O7—K1—N2	60.38 (11)	H18A—C18—H18B	107.7
O10—K1—N2	60.63 (10)	O10—C19—C18	109.5 (4)
O8—K1—N2	61.85 (11)	O10—C19—H19A	109.8
O6—K1—N2	118.30 (11)	C18—C19—H19A	109.8
O9—K1—N2	119.81 (11)	O10—C19—H19B	109.8
O11—K1—N2	118.78 (11)	C18—C19—H19B	109.8
O7—K1—N1	119.05 (11)	H19A—C19—H19B	108.2
O10—K1—N1	118.97 (11)	O10—C20—C21	109.0 (4)
O8—K1—N1	119.14 (12)	O10—C20—H20A	109.9
O6—K1—N1	61.31 (11)	C21—C20—H20A	109.9
O9—K1—N1	61.20 (11)	O10—C20—H20B	109.9
O11—K1—N1	60.62 (11)	C21—C20—H20B	109.9
N2—K1—N1	178.99 (13)	H20A—C20—H20B	108.3
O17—K2—O16	59.71 (11)	O11—C21—C20	111.4 (4)
O17—K2—O12	112.79 (12)	O11—C21—H21A	109.3
O16—K2—O12	97.97 (11)	C20—C21—H21A	109.3
O17—K2—O15	141.89 (13)	O11—C21—H21B	109.3
O16—K2—O15	97.74 (10)	C20—C21—H21B	109.3
O12—K2—O15	99.75 (11)	H21A—C21—H21B	108.0
O17—K2—O13	96.63 (11)	O11—C22—C23	110.3 (4)
O16—K2—O13	139.71 (10)	O11—C22—H22A	109.6
O12—K2—O13	59.19 (9)	C23—C22—H22A	109.6
O15—K2—O13	117.47 (10)	O11—C22—H22B	109.6
O17—K2—O14	100.00 (12)	C23—C22—H22B	109.6
O16—K2—O14	114.82 (12)	H22A—C22—H22B	108.1
O12—K2—O14	142.34 (10)	N1—C23—C22	115.2 (5)
O15—K2—O14	59.55 (11)	N1—C23—H23A	108.5
O13—K2—O14	100.35 (10)	C22—C23—H23A	108.5
O17—K2—N4	61.46 (11)	N1—C23—H23B	108.5
O16—K2—N4	118.78 (11)	C22—C23—H23B	108.5
O12—K2—N4	119.09 (10)	H23A—C23—H23B	107.5
O15—K2—N4	119.09 (11)	N3—C24—C25	114.4 (4)
O13—K2—N4	61.59 (10)	N3—C24—H24A	108.7
O14—K2—N4	61.20 (11)	C25—C24—H24A	108.7
O17—K2—N3	118.69 (10)	N3—C24—H24B	108.7
O16—K2—N3	61.27 (11)	C25—C24—H24B	108.7
O12—K2—N3	61.18 (11)	H24A—C24—H24B	107.6
O15—K2—N3	60.60 (11)	O12—C25—C24	108.9 (4)
O13—K2—N3	118.61 (11)	O12—C25—H25A	109.9
O14—K2—N3	118.46 (11)	C24—C25—H25A	109.9
N4—K2—N3	179.66 (14)	O12—C25—H25B	109.9
C8—O6—C7	111.8 (4)	C24—C25—H25B	109.9
C8—O6—K1	116.4 (3)	H25A—C25—H25B	108.3
C7—O6—K1	117.0 (3)	O12—C26—C27	110.1 (4)
C10—O7—C9	110.7 (4)	O12—C26—H26A	109.6
C10—O7—K1	120.9 (3)	C27—C26—H26A	109.6
C9—O7—K1	116.1 (3)	O12—C26—H26B	109.6
C14—O8—C13	112.3 (4)	C27—C26—H26B	109.6
C14—O8—K1	117.7 (3)	H26A—C26—H26B	108.1
C13—O8—K1	116.5 (3)	O13—C27—C26	110.0 (4)
C15—O9—C16	112.0 (4)	O13—C27—H27A	109.7
C15—O9—K1	112.8 (2)	C26—C27—H27A	109.7
C16—O9—K1	116.4 (3)	O13—C27—H27B	109.7
C19—O10—C20	110.6 (4)	C26—C27—H27B	109.7
C19—O10—K1	119.4 (3)	H27A—C27—H27B	108.2
C20—O10—K1	117.7 (3)	O13—C28—C29	110.1 (4)
C22—O11—C21	112.4 (4)	O13—C28—H28A	109.6
C22—O11—K1	116.4 (3)	C29—C28—H28A	109.6
C21—O11—K1	113.2 (3)	O13—C28—H28B	109.6
C25—O12—C26	112.5 (4)	C29—C28—H28B	109.6
C25—O12—K2	117.5 (3)	H28A—C28—H28B	108.2
C26—O12—K2	117.5 (3)	N4—C29—C28	115.0 (4)
C28—O13—C27	110.9 (4)	N4—C29—H29A	108.5
C28—O13—K2	115.6 (3)	C28—C29—H29A	108.5
C27—O13—K2	114.3 (2)	N4—C29—H29B	108.5
C31—O14—C32	112.2 (4)	C28—C29—H29B	108.5
C31—O14—K2	116.1 (3)	H29A—C29—H29B	107.5
C32—O14—K2	114.2 (3)	N4—C30—C31	113.6 (4)
C33—O15—C34	112.2 (4)	N4—C30—H30A	108.8
C33—O15—K2	114.1 (3)	C31—C30—H30A	108.8
C34—O15—K2	118.6 (3)	N4—C30—H30B	108.8
C38—O16—C37	110.9 (4)	C31—C30—H30B	108.8
C38—O16—K2	114.2 (3)	H30A—C30—H30B	107.7
C37—O16—K2	117.2 (3)	O14—C31—C30	109.5 (4)
C40—O17—C39	107.7 (5)	O14—C31—H31A	109.8
C40—O17—K2	116.0 (3)	C30—C31—H31A	109.8
C39—O17—K2	114.4 (3)	O14—C31—H31B	109.8
C17—N1—C23	110.9 (4)	C30—C31—H31B	109.8
C17—N1—C6	109.0 (4)	H31A—C31—H31B	108.2
C23—N1—C6	111.2 (4)	O14—C32—C33	110.1 (4)
C17—N1—K1	108.2 (3)	O14—C32—H32A	109.6
C23—N1—K1	109.0 (3)	C33—C32—H32A	109.6
C6—N1—K1	108.4 (3)	O14—C32—H32B	109.6
C11—N2—C18	110.2 (4)	C33—C32—H32B	109.6
C11—N2—C12	110.6 (4)	H32A—C32—H32B	108.2
C18—N2—C12	109.2 (4)	O15—C33—C32	109.9 (4)
C11—N2—K1	109.3 (3)	O15—C33—H33A	109.7
C18—N2—K1	109.5 (3)	C32—C33—H33A	109.7
C12—N2—K1	108.1 (3)	O15—C33—H33B	109.7
C24—N3—C36	108.9 (4)	C32—C33—H33B	109.7
C24—N3—C35	110.9 (5)	H33A—C33—H33B	108.2
C36—N3—C35	110.5 (4)	O15—C34—C35	110.2 (4)
C24—N3—K2	108.6 (3)	O15—C34—H34A	109.6
C36—N3—K2	108.3 (3)	C35—C34—H34A	109.6
C35—N3—K2	109.5 (3)	O15—C34—H34B	109.6
C29—N4—C41	111.1 (4)	C35—C34—H34B	109.6
C29—N4—C30	109.5 (4)	H34A—C34—H34B	108.1
C41—N4—C30	107.8 (4)	N3—C35—C34	114.7 (5)
C29—N4—K2	108.1 (3)	N3—C35—H35A	108.6
C41—N4—K2	110.2 (3)	C34—C35—H35A	108.6
C30—N4—K2	110.1 (3)	N3—C35—H35B	108.6
O1—C1—Cr1	177.9 (4)	C34—C35—H35B	108.6
O2—C2—Cr1	179.0 (6)	H35A—C35—H35B	107.6
O3—C3—Cr1	175.7 (4)	N3—C36—C37	114.9 (4)
O4—C4—Cr1	177.1 (5)	N3—C36—H36A	108.5
O5—C5—Cr1	179.3 (5)	C37—C36—H36A	108.5
N1—C6—C7	115.1 (4)	N3—C36—H36B	108.5
N1—C6—H6A	108.5	C37—C36—H36B	108.5
C7—C6—H6A	108.5	H36A—C36—H36B	107.5
N1—C6—H6B	108.5	O16—C37—C36	109.6 (4)
C7—C6—H6B	108.5	O16—C37—H37A	109.7
H6A—C6—H6B	107.5	C36—C37—H37A	109.7
O6—C7—C6	108.7 (5)	O16—C37—H37B	109.7
O6—C7—H7A	110.0	C36—C37—H37B	109.7
C6—C7—H7A	110.0	H37A—C37—H37B	108.2
O6—C7—H7B	110.0	O16—C38—C39	110.4 (5)
C6—C7—H7B	110.0	O16—C38—H38A	109.6
H7A—C7—H7B	108.3	C39—C38—H38A	109.6
O6—C8—C9	110.7 (5)	O16—C38—H38B	109.6
O6—C8—H8A	109.5	C39—C38—H38B	109.6
C9—C8—H8A	109.5	H38A—C38—H38B	108.1
O6—C8—H8B	109.5	C38—C39—O17	109.2 (5)
C9—C8—H8B	109.5	C38—C39—H39A	109.8
H8A—C8—H8B	108.1	O17—C39—H39A	109.8
O7—C9—C8	110.4 (4)	C38—C39—H39B	109.8
O7—C9—H9A	109.6	O17—C39—H39B	109.8
C8—C9—H9A	109.6	H39A—C39—H39B	108.3
O7—C9—H9B	109.6	O17—C40—C41	109.3 (5)
C8—C9—H9B	109.6	O17—C40—H40A	109.8
H9A—C9—H9B	108.1	C41—C40—H40A	109.8
O7—C10—C11	108.6 (4)	O17—C40—H40B	109.8
O7—C10—H10A	110.0	C41—C40—H40B	109.8
C11—C10—H10A	110.0	H40A—C40—H40B	108.3
O7—C10—H10B	110.0	N4—C41—C40	114.1 (4)
C11—C10—H10B	110.0	N4—C41—H41A	108.7
H10A—C10—H10B	108.3	C40—C41—H41A	108.7
N2—C11—C10	113.6 (4)	N4—C41—H41B	108.7
N2—C11—H11A	108.9	C40—C41—H41B	108.7
C10—C11—H11A	108.9	H41A—C41—H41B	107.6
N2—C11—H11B	108.9	C42—N5—H51	112.2
C10—C11—H11B	108.9	C42—N5—H52	108.0
H11A—C11—H11B	107.7	H51—N5—H52	109.5
N2—C12—C13	114.5 (4)	C43—N6—H61	110.5
N2—C12—H12A	108.6	C43—N6—H62	106.7
C13—C12—H12A	108.6	H61—N6—H62	109.5
N2—C12—H12B	108.6	N5—C42—C43	117.4 (12)
C13—C12—H12B	108.6	N5—C42—H42A	108.0
H12A—C12—H12B	107.6	C43—C42—H42A	108.0
O8—C13—C12	109.3 (4)	N5—C42—H42B	108.0
O8—C13—H13A	109.8	C43—C42—H42B	108.0
C12—C13—H13A	109.8	H42A—C42—H42B	107.2
O8—C13—H13B	109.8	C42—C43—N6	115.5 (14)
C12—C13—H13B	109.8	C42—C43—H43A	108.4
H13A—C13—H13B	108.3	N6—C43—H43A	108.4
O8—C14—C15	110.3 (4)	C42—C43—H43B	108.4
O8—C14—H14A	109.6	N6—C43—H43B	108.4
C15—C14—H14A	109.6	H43A—C43—H43B	107.5
O8—C14—H14B	109.6
O7—K1—O6—C8	13.8 (4)	O9—K1—N1—C17	−16.2 (3)
O10—K1—O6—C8	−51.0 (5)	O11—K1—N1—C17	106.3 (3)
O8—K1—O6—C8	95.6 (4)	O7—K1—N1—C23	93.6 (3)
O9—K1—O6—C8	155.0 (4)	O10—K1—N1—C23	−27.5 (3)
O11—K1—O6—C8	−103.8 (4)	O8—K1—N1—C23	−150.7 (3)
N2—K1—O6—C8	26.0 (4)	O6—K1—N1—C23	106.6 (3)
N1—K1—O6—C8	−152.9 (4)	O9—K1—N1—C23	−136.9 (3)
O7—K1—O6—C7	149.7 (5)	O11—K1—N1—C23	−14.4 (3)
O10—K1—O6—C7	85.0 (4)	O7—K1—N1—C6	−27.7 (4)
O8—K1—O6—C7	−128.4 (4)	O10—K1—N1—C6	−148.7 (3)
O9—K1—O6—C7	−69.1 (4)	O8—K1—N1—C6	88.1 (3)
O11—K1—O6—C7	32.2 (4)	O6—K1—N1—C6	−14.6 (3)
N2—K1—O6—C7	162.0 (4)	O9—K1—N1—C6	101.9 (4)
N1—K1—O6—C7	−16.9 (4)	O11—K1—N1—C6	−135.7 (4)
O10—K1—O7—C10	−59.5 (4)	O7—K1—N2—C11	−19.8 (3)
O8—K1—O7—C10	42.1 (4)	O10—K1—N2—C11	102.3 (3)
O6—K1—O7—C10	156.5 (5)	O8—K1—N2—C11	−135.2 (3)
O9—K1—O7—C10	92.4 (4)	O6—K1—N2—C11	−31.8 (4)
O11—K1—O7—C10	−119.9 (4)	O9—K1—N2—C11	−148.9 (3)
N2—K1—O7—C10	−11.1 (4)	O11—K1—N2—C11	88.2 (3)
N1—K1—O7—C10	169.9 (4)	O7—K1—N2—C18	−140.5 (3)
O10—K1—O7—C9	161.8 (4)	O10—K1—N2—C18	−18.5 (3)
O8—K1—O7—C9	−96.6 (4)	O8—K1—N2—C18	104.1 (3)
O6—K1—O7—C9	17.8 (4)	O6—K1—N2—C18	−152.6 (3)
O9—K1—O7—C9	−46.3 (4)	O9—K1—N2—C18	90.4 (3)
O11—K1—O7—C9	101.4 (4)	O11—K1—N2—C18	−32.5 (3)
N2—K1—O7—C9	−149.8 (4)	O7—K1—N2—C12	100.7 (3)
N1—K1—O7—C9	31.2 (4)	O10—K1—N2—C12	−137.3 (3)
O7—K1—O8—C14	153.1 (3)	O8—K1—N2—C12	−14.7 (3)
O10—K1—O8—C14	−106.5 (3)	O6—K1—N2—C12	88.6 (3)
O6—K1—O8—C14	94.5 (3)	O9—K1—N2—C12	−28.4 (3)
O9—K1—O8—C14	11.3 (3)	O11—K1—N2—C12	−151.3 (3)
O11—K1—O8—C14	−53.2 (4)	O17—K2—N3—C24	−83.6 (3)
N2—K1—O8—C14	−154.9 (3)	O16—K2—N3—C24	−100.7 (3)
N1—K1—O8—C14	25.3 (4)	O12—K2—N3—C24	18.1 (3)
O7—K1—O8—C13	−69.1 (3)	O15—K2—N3—C24	140.3 (3)
O10—K1—O8—C13	31.3 (3)	O13—K2—N3—C24	33.1 (3)
O6—K1—O8—C13	−127.6 (3)	O14—K2—N3—C24	155.0 (3)
O9—K1—O8—C13	149.2 (3)	O17—K2—N3—C36	34.6 (3)
O11—K1—O8—C13	84.6 (3)	O16—K2—N3—C36	17.4 (3)
N2—K1—O8—C13	−17.0 (3)	O12—K2—N3—C36	136.3 (3)
N1—K1—O8—C13	163.2 (3)	O15—K2—N3—C36	−101.6 (3)
O7—K1—O9—C15	−42.3 (4)	O13—K2—N3—C36	151.2 (3)
O10—K1—O9—C15	105.6 (3)	O14—K2—N3—C36	−86.9 (3)
O8—K1—O9—C15	20.6 (3)	O17—K2—N3—C35	155.2 (4)
O6—K1—O9—C15	−93.2 (3)	O16—K2—N3—C35	138.0 (4)
O11—K1—O9—C15	166.3 (3)	O12—K2—N3—C35	−103.1 (4)
N2—K1—O9—C15	34.7 (4)	O15—K2—N3—C35	19.0 (4)
N1—K1—O9—C15	−145.4 (4)	O13—K2—N3—C35	−88.2 (4)
O7—K1—O9—C16	89.3 (3)	O14—K2—N3—C35	33.7 (4)
O10—K1—O9—C16	−122.9 (3)	O17—K2—N4—C29	133.4 (3)
O8—K1—O9—C16	152.2 (3)	O16—K2—N4—C29	150.9 (3)
O6—K1—O9—C16	38.4 (3)	O12—K2—N4—C29	31.8 (3)
O11—K1—O9—C16	−62.1 (3)	O15—K2—N4—C29	−90.3 (3)
N2—K1—O9—C16	166.2 (3)	O13—K2—N4—C29	17.1 (3)
N1—K1—O9—C16	−13.8 (3)	O14—K2—N4—C29	−105.0 (3)
O7—K1—O10—C19	36.0 (3)	O17—K2—N4—C41	11.8 (3)
O8—K1—O10—C19	−61.4 (3)	O16—K2—N4—C41	29.3 (4)
O6—K1—O10—C19	87.8 (4)	O12—K2—N4—C41	−89.9 (4)
O9—K1—O10—C19	−122.1 (3)	O15—K2—N4—C41	148.1 (3)
O11—K1—O10—C19	153.5 (4)	O13—K2—N4—C41	−104.5 (4)
N2—K1—O10—C19	−12.3 (3)	O14—K2—N4—C41	133.4 (4)
N1—K1—O10—C19	166.7 (3)	O17—K2—N4—C30	−107.0 (3)
O7—K1—O10—C20	−102.6 (3)	O16—K2—N4—C30	−89.5 (3)
O8—K1—O10—C20	160.0 (3)	O12—K2—N4—C30	151.4 (3)
O6—K1—O10—C20	−50.8 (4)	O15—K2—N4—C30	29.3 (3)
O9—K1—O10—C20	99.3 (3)	O13—K2—N4—C30	136.7 (3)
O11—K1—O10—C20	14.8 (3)	O14—K2—N4—C30	14.7 (3)
N2—K1—O10—C20	−150.9 (3)	C17—N1—C6—C7	164.3 (5)
N1—K1—O10—C20	28.0 (3)	C23—N1—C6—C7	−73.1 (6)
O7—K1—O11—C22	−125.9 (4)	K1—N1—C6—C7	46.8 (6)
O10—K1—O11—C22	150.1 (4)	C8—O6—C7—C6	−175.7 (5)
O8—K1—O11—C22	84.1 (4)	K1—O6—C7—C6	46.5 (6)
O6—K1—O11—C22	−66.2 (4)	N1—C6—C7—O6	−64.5 (7)
O9—K1—O11—C22	32.0 (4)	C7—O6—C8—C9	178.5 (5)
N2—K1—O11—C22	164.3 (4)	K1—O6—C8—C9	−43.4 (6)
N1—K1—O11—C22	−16.6 (4)	C10—O7—C9—C8	169.7 (5)
O7—K1—O11—C21	101.6 (3)	K1—O7—C9—C8	−47.5 (6)
O10—K1—O11—C21	17.7 (3)	O6—C8—C9—O7	60.1 (6)
O8—K1—O11—C21	−48.3 (4)	C9—O7—C10—C11	−179.9 (5)
O6—K1—O11—C21	161.3 (3)	K1—O7—C10—C11	39.4 (6)
O9—K1—O11—C21	−100.4 (3)	C18—N2—C11—C10	170.2 (5)
N2—K1—O11—C21	31.8 (3)	C12—N2—C11—C10	−69.0 (6)
N1—K1—O11—C21	−149.1 (3)	K1—N2—C11—C10	49.8 (6)
O17—K2—O12—C25	124.9 (3)	O7—C10—C11—N2	−60.4 (7)
O16—K2—O12—C25	64.4 (3)	C11—N2—C12—C13	166.1 (4)
O15—K2—O12—C25	−34.9 (3)	C18—N2—C12—C13	−72.5 (5)
O13—K2—O12—C25	−151.1 (3)	K1—N2—C12—C13	46.4 (5)
O14—K2—O12—C25	−86.6 (3)	C14—O8—C13—C12	−173.0 (4)
N4—K2—O12—C25	−166.2 (3)	K1—O8—C13—C12	46.9 (5)
N3—K2—O12—C25	13.6 (3)	N2—C12—C13—O8	−64.9 (6)
O17—K2—O12—C26	−95.8 (3)	C13—O8—C14—C15	179.5 (4)
O16—K2—O12—C26	−156.3 (3)	K1—O8—C14—C15	−41.0 (5)
O15—K2—O12—C26	104.4 (3)	C16—O9—C15—C14	175.6 (4)
O13—K2—O12—C26	−11.9 (3)	K1—O9—C15—C14	−50.6 (5)
O14—K2—O12—C26	52.7 (3)	O8—C14—C15—O9	61.6 (5)
N4—K2—O12—C26	−26.9 (3)	C15—O9—C16—C17	174.5 (4)
N3—K2—O12—C26	152.9 (3)	K1—O9—C16—C17	42.6 (5)
O17—K2—O13—C28	−38.4 (3)	C23—N1—C17—C16	167.3 (4)
O16—K2—O13—C28	−88.0 (3)	C6—N1—C17—C16	−69.9 (6)
O12—K2—O13—C28	−151.1 (3)	K1—N1—C17—C16	47.8 (5)
O15—K2—O13—C28	124.0 (3)	O9—C16—C17—N1	−63.6 (6)
O14—K2—O13—C28	63.0 (3)	C11—N2—C18—C19	−71.4 (5)
N4—K2—O13—C28	14.0 (3)	C12—N2—C18—C19	166.9 (4)
N3—K2—O13—C28	−166.3 (3)	K1—N2—C18—C19	48.8 (5)
O17—K2—O13—C27	92.2 (3)	C20—O10—C19—C18	−177.5 (4)
O16—K2—O13—C27	42.6 (4)	K1—O10—C19—C18	41.2 (5)
O12—K2—O13—C27	−20.4 (3)	N2—C18—C19—O10	−61.3 (6)
O15—K2—O13—C27	−105.4 (3)	C19—O10—C20—C21	173.3 (4)
O14—K2—O13—C27	−166.3 (3)	K1—O10—C20—C21	−44.6 (5)
N4—K2—O13—C27	144.6 (3)	C22—O11—C21—C20	177.2 (5)
N3—K2—O13—C27	−35.7 (3)	K1—O11—C21—C20	−48.4 (5)
O17—K2—O14—C31	66.8 (3)	O10—C20—C21—O11	62.1 (6)
O16—K2—O14—C31	128.0 (3)	C21—O11—C22—C23	178.8 (5)
O12—K2—O14—C31	−83.9 (4)	K1—O11—C22—C23	46.0 (6)
O15—K2—O14—C31	−147.8 (4)	C17—N1—C23—C22	−73.4 (5)
O13—K2—O14—C31	−31.9 (3)	C6—N1—C23—C22	165.1 (5)
N4—K2—O14—C31	17.4 (3)	K1—N1—C23—C22	45.6 (5)
N3—K2—O14—C31	−162.6 (3)	O11—C22—C23—N1	−63.9 (6)
O17—K2—O14—C32	−160.2 (3)	C36—N3—C24—C25	−167.6 (4)
O16—K2—O14—C32	−99.0 (3)	C35—N3—C24—C25	70.6 (5)
O12—K2—O14—C32	49.1 (4)	K2—N3—C24—C25	−49.8 (5)
O15—K2—O14—C32	−14.8 (3)	C26—O12—C25—C24	176.1 (4)
O13—K2—O14—C32	101.1 (3)	K2—O12—C25—C24	−42.7 (5)
N4—K2—O14—C32	150.4 (4)	N3—C24—C25—O12	64.2 (6)
N3—K2—O14—C32	−29.6 (4)	C25—O12—C26—C27	−176.7 (4)
O17—K2—O15—C33	46.1 (4)	K2—O12—C26—C27	42.0 (4)
O16—K2—O15—C33	95.5 (3)	C28—O13—C27—C26	−176.5 (4)
O12—K2—O15—C33	−165.0 (3)	K2—O13—C27—C26	50.6 (4)
O13—K2—O15—C33	−104.8 (3)	O12—C26—C27—O13	−61.3 (5)
O14—K2—O15—C33	−18.8 (3)	C27—O13—C28—C29	−175.8 (4)
N4—K2—O15—C33	−33.7 (3)	K2—O13—C28—C29	−43.6 (5)
N3—K2—O15—C33	146.2 (4)	C41—N4—C29—C28	72.0 (6)
O17—K2—O15—C34	−89.5 (4)	C30—N4—C29—C28	−169.1 (4)
O16—K2—O15—C34	−40.1 (4)	K2—N4—C29—C28	−49.1 (5)
O12—K2—O15—C34	59.4 (4)	O13—C28—C29—N4	65.3 (6)
O13—K2—O15—C34	119.6 (4)	C29—N4—C30—C31	72.9 (5)
O14—K2—O15—C34	−154.4 (4)	C41—N4—C30—C31	−166.1 (4)
N4—K2—O15—C34	−169.3 (4)	K2—N4—C30—C31	−45.9 (5)
N3—K2—O15—C34	10.6 (4)	C32—O14—C31—C30	179.0 (4)
O17—K2—O16—C38	−17.3 (4)	K2—O14—C31—C30	−47.1 (5)
O12—K2—O16—C38	94.5 (4)	N4—C30—C31—O14	64.1 (6)
O15—K2—O16—C38	−164.5 (4)	C31—O14—C32—C33	−178.7 (5)
O13—K2—O16—C38	43.9 (5)	K2—O14—C32—C33	46.4 (5)
O14—K2—O16—C38	−104.5 (4)	C34—O15—C33—C32	−170.8 (4)
N4—K2—O16—C38	−35.1 (4)	K2—O15—C33—C32	50.7 (5)
N3—K2—O16—C38	145.3 (4)	O14—C32—C33—O15	−65.7 (6)
O17—K2—O16—C37	−149.5 (4)	C33—O15—C34—C35	−175.2 (5)
O12—K2—O16—C37	−37.7 (4)	K2—O15—C34—C35	−38.8 (6)
O15—K2—O16—C37	63.4 (4)	C24—N3—C35—C34	−169.2 (4)
O13—K2—O16—C37	−88.3 (4)	C36—N3—C35—C34	70.0 (5)
O14—K2—O16—C37	123.3 (4)	K2—N3—C35—C34	−49.3 (5)
N4—K2—O16—C37	−167.2 (3)	O15—C34—C35—N3	60.6 (6)
N3—K2—O16—C37	13.1 (3)	C24—N3—C36—C37	68.8 (6)
O16—K2—O17—C40	−142.3 (4)	C35—N3—C36—C37	−169.2 (5)
O12—K2—O17—C40	131.8 (4)	K2—N3—C36—C37	−49.2 (5)
O15—K2—O17—C40	−81.8 (4)	C38—O16—C37—C36	−176.1 (5)
O13—K2—O17—C40	72.5 (4)	K2—O16—C37—C36	−42.5 (5)
O14—K2—O17—C40	−29.3 (4)	N3—C36—C37—O16	63.7 (6)
N4—K2—O17—C40	20.0 (4)	C37—O16—C38—C39	−175.0 (5)
N3—K2—O17—C40	−159.7 (4)	K2—O16—C38—C39	49.9 (6)
O16—K2—O17—C39	−15.9 (3)	O16—C38—C39—O17	−65.4 (6)
O12—K2—O17—C39	−101.8 (4)	C40—O17—C39—C38	178.2 (5)
O15—K2—O17—C39	44.6 (4)	K2—O17—C39—C38	47.6 (5)
O13—K2—O17—C39	−161.1 (4)	C39—O17—C40—C41	−179.1 (5)
O14—K2—O17—C39	97.1 (4)	K2—O17—C40—C41	−49.4 (6)
N4—K2—O17—C39	146.3 (4)	C29—N4—C41—C40	−162.5 (5)
N3—K2—O17—C39	−33.3 (4)	C30—N4—C41—C40	77.5 (6)
O7—K1—N1—C17	−145.8 (3)	K2—N4—C41—C40	−42.7 (6)
O10—K1—N1—C17	93.2 (3)	O17—C40—C41—N4	63.2 (7)
O8—K1—N1—C17	−30.0 (3)	N5—C42—C43—N6	−88.6 (17)
O6—K1—N1—C17	−132.7 (3)