A diketiminate-bound diiron complex with a bridging carbonate ligand

Reduction of carbon dioxide by a diiron(I) complex gives μ-carbonato-κ³O:O′,O′′-bis­{[2,2,6,6-tetra­methyl-3,5-bis­(2,4,6-triisopropyl­phenyl)heptane-2,5-diiminate(1−)-κ²N,N′]iron(II)} toluene disolvate, [Fe₂(C₄₁H₆₅N)₂(CO₃)]·2C₇H₈, a diiron(II) species with a bridging carbonate ligand. The asymmetric unit contains one diiron complex and two cocrystallized toluene solvent mol­ecules that are distributed over three sites, one with atoms in general positions and two in crystallographic sites. Both Fe^II atoms are η²-coordinated to diketiminate ligands, but η¹- and η²-coordinated to the bridging carbonate ligand. Thus, one Fe^II center is three-coordinate and the other is four-coordinate. The bridging carbonate ligand is nearly perpendicular to the iron–diketiminate plane of the four-coordinate Fe^II center and parallel to the plane of the three-coordinate Fe^II center.

S1. Comment

The reduction of CO₂ is of great interest in the scientific community because of the relevance to biological (Ragsdale & Kumar, 1996) and proposed manmade (Lewis & Nocera, 2006) energy conversions. CO₂ is also a promising one-carbon chemical feedstock (Aresta & Dibenedetto, 2007). Recently, the Peters group reported an interesting reductive cleavage of CO₂ to bridging oxo (O^2-) and CO groups in a diiron complex (Lu et al., 2007). Our group reported a related reaction, where eight equivalents of CO₂ react with five equivalents of the diiron(I) complex [L^tBuFe]₂(µ-N₂) to give two equivalents of an iron(I) dicarbonyl complex and four equivalents of an unusual diiron(II) complex, (II), with a bridging carbonate ligand (Sadique et al., 2008). In that work, L^tBu represents the anionic bidentate β-diketiminate ligand 2,2,6,6-tetramethyl-3,5-bis(2,4,6-triisopropylphenylimido)hept-4-yl. Here, we report the structure of a very similar carbonate complex that is derived from CO₂ using an identical method, but uses a differently substituted β-diketiminate ligand.

The work described here uses L^tBu', a supporting β-diketiminate ligand containing an aryl substituent with isopropyl groups in the 2, 4 and 6 positions. This ligand, shown in Fig. 1, has been described previously, including its synthesis (Sadique et al., 2007). Here, we used this ligand in place of L^tBu, the 2,6-diisopropylphenyl β-diketiminate ligand from the previous CO₂ study (Sadique et al., 2008). The diiron(I) dinitrogen precursor was synthesized in close analogy with the synthesis of its L^tBu analog, and it reacted rapidly with gaseous CO₂. The title carbonate product, (I), crystallized as orange blocks. The ¹H NMR spectrum of (I) is very similar to that of (II), except for the presence of additional peaks due to the para-isopropyl groups.

A displacement ellipsoid plot of the structure of (I) is shown in Fig. 2. The core of the molecule is shown in Fig. 3. The β-diketiminate Fe1 ligand, which is η²-coordinated to the carbonate bridge, is essentially perpendicular to the carbonate plane and to the other β-diketiminate ligand, with interplanar angles of 85.49 (5) and 89.74 (4)°, respectively. It is interesting to compare the structures of the new compound (I) with that of (II) reported earlier (Sadique et al., 2008). The triclinic unit cell and intensity statistics of (I) indicate the space group P1 with Z = 2. Therefore, there is only one molecule per asymmetric unit, in contrast with (II), which has two crystallographically independent molecules with different carbonate binding modes. In (II), one molecule has η² binding of carbonate to each Fe atom, while the other molecule has η² binding to one Fe atom and η¹ binding to the other. In (I), on the other hand, only the latter bridging mode is seen. This is not surprising, because the larger β-diketiminate ligand in (I) would be expected to prevent the more sterically crowded η²:η² bridging.

Despite the increased steric hindrance in (I), the Fe2—O3 distance of 1.8563 (11) Å is shorter than the analogous distance of 1.881 (1) Å in the η²:η¹ form of (II). This correlates with a significantly more obtuse angle at O3 of 138.24 (11)° in (I) versus 128.64 (11)° in (II), suggesting that (I) has more π-bonding contribution in the Fe2—O3 bond. Other bond lengths and angles are similar between (I) and (II).

S2. Experimental

All manipulations were done using standard Schlenk or high-vacuum techniques to prevent reaction with oxygen or moisture. Solvents were dried by passing them through activated alumina, or by vacuum distillation from sodium benzophenone ketyl. Carbon dioxide was freed from oxygen by three cycles of degassing at 77 K, and dried over activated molecular sieves. The precursor L^tBu'FeNNFeL^tBu' was synthesized from L^tBu'FeCl by addition of KC₈ in an atmosphere of N₂, using the same procedure as that reported for the analogs with other β-diketiminate ligands (Smith et al., 2006).

For the preparation of (I), L^tBu'FeNNFeL^tBu' (12 mg, 9.8 µmol) was dissolved in benzene-d₆ (0.5 ml), and the tube was cooled in liquid nitrogen and the headspace evacuated. Carbon dioxide (7.75 ml, 65 mbar) was condensed into the tube and it was warmed to room temperature. The ¹H NMR spectrum showed the formation of (I), with singlets (relative integrations in parentheses) at δ 51 (1H), 37 (18H), 24 (2H), 9 (4H), -11 (12H), -54 (12H) and -58 (4H) p.p.m. The solution was transferred into a glove box, dried under vacuum, redissolved in pentane and cooled to 233 K to give orange crystals of (I).

S3. Refinement

H atoms were positioned geometrically, with C—H = 0.95–1.00 Å, and refined with relative isotropic displacement parameters of U_iso(H) = 1.5U_eq(C). [Please check added text]

There are three disordered moieties in the diiron molecule, two isopropyl groups and one tert-butyl group. The isopropyl group containing atoms C103, C113 and C123 was modeled over three positions, with refined site occupancies of 0.51, 0.275 and 0.215. A two-position disorder model proved insufficient due to the presence of a third site in the difference Fourier map, which manifested itself by residual peaks in an isotropic refinement or by elongated displacement ellipsoids in an anisotropic refinement of the same. All three positions of the group were restrained to have similar bond lengths and angles, and the anisotropic displacement parameters of the positionally similar atoms were constrained to be equal. The disorder of the second isopropyl group (atoms C134, C145, and C155) was modeled over two positions with site occupancies of 0.54 and 0.46. The bond lengths and angles were restrained to be similar and the anisotropic displacement parameters were constrained to be equal. The disorder of the tert-butyl group (atoms C14, C64, C74 and C84) was modeled over two positions and refined to site occupancies of 0.85 and 0.15. Despite the small percentage of the minor component of the disorder, its neglect left three residual peaks of electron density of 1.0–1.2 e Å^-3 in positions geometrically appropriate for another orientation of the group. The bond lengths and angles of the two groups were restrained to be similar, and the anisotropic displacement parameters of appropriate atoms were constrained to be equal.

There are three independent co-crystallized toluene solvent molecule sites, all of which required disorder modeling. The first (C17–C77) was modeled over two general positions with site occupancies of 0.61 and 0.39. Both orientations were restrained to have the same bond lengths and angles, and the minor component of the disorder was restrained to be flat. Additionally, the anistropic displacement parameters between one pair of promixal atoms (C37 and C77') were restrained to be similar. The second toluene molecule (C18–C78) was modeled over a crystallographic inversion center with component occupancies of 0.50 each by symmetry. The molecule was restrained to be flat and the anisotropic displacement parameters of positionally close symmetry-equivalent atoms (C18 and C58, and C38 and C78) were constrained to be equal. The disorder model for the third toluene molecule (C19–C79) was over a crystallographic inversion center (0.50 each by symmetry) and additionally over two general positions (0.63 and 0.37). The latter model was required to account for two positions of electron density on each side of the inversion center. The two unique molecular positions were restrained to be flat, and the bond lengths and angles of both were restrained to be similar. A variety of restraints and constraints were also imposed on the anisotropic displacement parameters, due to the proximity of atomic positions between atoms of the general position disorder and those at symmetry-related positions.

Computing details

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b); molecular graphics: SHELXTL (Sheldrick, 2008b); software used to prepare material for publication: SHELXTL (Sheldrick, 2008b).

Figures

	Fig. 1. The synthesis and connectivity of (I) and (II). For (I), R = ^iPr, and for (II), R = H. Thus, compound (II) differs from (I) only in the lack of isopropyl groups in the para positions of the aryl rings in the β-diketiminate ligands.
	Fig. 2. The structure of (I), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms have been omitted for clarity.
	Fig. 3. The core of (I), showing the perpendicular arrangement of the β-diketiminate rings.

µ-carbonato-κ³O:O',O''- bis{[2,2,6,6-tetramethyl-3,5-bis(2,4,6-triisopropylphenyl)heptane-2,5- diiminate(1-)-κ²N,N']iron(II)} toluene disolvate

Crystal data

[Fe2(C41H65N)2(CO3)]·2C7H8	Z = 2
Mr = 1527.88	F(000) = 1664
Triclinic, P1	Dx = 1.110 Mg m^−3
a = 14.7703 (7) Å	Mo Kα radiation, λ = 0.71073 Å
b = 15.5535 (8) Å	Cell parameters from 3016 reflections
c = 21.6991 (11) Å	θ = 2.3–30.5°
α = 77.533 (3)°	µ = 0.37 mm^−1
β = 79.815 (3)°	T = 100 K
γ = 70.941 (3)°	Block, orange
V = 4569.9 (4) Å^3	0.27 × 0.25 × 0.16 mm

Data collection

Bruker SMART APEXII Platform CCD area-detector diffractometer	26363 independent reflections
Radiation source: fine-focus sealed tube	19303 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.034
area dectector, ω scans per ϕ	θmax = 30.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2008a)	h = −20→20
Tmin = 0.660, Tmax = 0.746	k = −21→21
71339 measured reflections	l = −30→30

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)] = 0.042	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.105	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0464P)^2 + 1.0611P] where P = (Fo^2 + 2Fc^2)/3
26363 reflections	(Δ/σ)max = 0.003
1199 parameters	Δρmax = 0.42 e Å^−3
275 restraints	Δρmin = −0.36 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	Occ. (<1)
Fe1	1.074932 (13)	0.099845 (13)	0.751945 (9)	0.01949 (5)
Fe2	0.711436 (13)	0.296262 (14)	0.764901 (9)	0.02191 (5)
C1	0.90912 (10)	0.17594 (10)	0.78207 (7)	0.0240 (3)
O1	0.94594 (7)	0.19211 (7)	0.72484 (5)	0.0271 (2)
O2	0.96304 (7)	0.11889 (8)	0.82203 (5)	0.0317 (2)
O3	0.81989 (7)	0.21532 (9)	0.80043 (5)	0.0406 (3)
N11	1.19542 (8)	0.13104 (8)	0.74802 (5)	0.0189 (2)
N21	1.13437 (8)	−0.02504 (7)	0.73008 (5)	0.0177 (2)
C11	1.38093 (10)	0.09355 (11)	0.73034 (7)	0.0275 (3)
C21	1.28307 (9)	0.07344 (10)	0.73421 (6)	0.0200 (3)
C31	1.29440 (9)	−0.01540 (9)	0.72258 (6)	0.0205 (3)
H31A	1.3600	−0.0510	0.7158	0.025*
C41	1.22963 (9)	−0.06286 (9)	0.71877 (6)	0.0191 (3)
C51	1.28134 (10)	−0.16201 (10)	0.70297 (7)	0.0245 (3)
C61	1.37550 (12)	0.18812 (12)	0.74386 (8)	0.0351 (4)
H61A	1.4408	0.1909	0.7439	0.053*
H61B	1.3386	0.1971	0.7854	0.053*
H61C	1.3436	0.2368	0.7108	0.053*
C71	1.43592 (12)	0.08497 (13)	0.66336 (8)	0.0382 (4)
H71A	1.4976	0.0971	0.6609	0.057*
H71B	1.3973	0.1299	0.6316	0.057*
H71C	1.4477	0.0225	0.6552	0.057*
C81	1.44163 (11)	0.02095 (13)	0.77946 (8)	0.0370 (4)
H81A	1.5032	0.0330	0.7778	0.056*
H81B	1.4538	−0.0408	0.7697	0.056*
H81C	1.4066	0.0244	0.8221	0.056*
C91	1.35171 (12)	−0.15609 (12)	0.64171 (8)	0.0344 (4)
H91A	1.3791	−0.2172	0.6293	0.052*
H91B	1.4037	−0.1348	0.6493	0.052*
H91C	1.3170	−0.1125	0.6076	0.052*
C101	1.33821 (12)	−0.21865 (11)	0.75901 (8)	0.0367 (4)
H10A	1.3707	−0.2818	0.7511	0.055*
H10B	1.2937	−0.2201	0.7983	0.055*
H10C	1.3864	−0.1901	0.7633	0.055*
C111	1.21752 (11)	−0.21730 (10)	0.69295 (8)	0.0313 (3)
H11A	1.2580	−0.2788	0.6852	0.047*
H11B	1.1822	−0.1850	0.6563	0.047*
H11C	1.1716	−0.2234	0.7310	0.047*
C12	1.17007 (10)	0.22707 (9)	0.75300 (6)	0.0202 (3)
C22	1.16449 (11)	0.29391 (10)	0.69713 (6)	0.0240 (3)
C32	1.13049 (11)	0.38682 (10)	0.70289 (7)	0.0248 (3)
H32A	1.1272	0.4319	0.6653	0.030*
C42	1.10112 (10)	0.41651 (9)	0.76126 (7)	0.0220 (3)
C52	1.10607 (10)	0.34925 (9)	0.81541 (7)	0.0222 (3)
H52A	1.0867	0.3681	0.8558	0.027*
C62	1.13847 (10)	0.25496 (9)	0.81279 (6)	0.0201 (3)
C72	1.18957 (13)	0.26747 (11)	0.63122 (7)	0.0309 (3)
H72A	1.2240	0.1998	0.6361	0.037*
C82	1.25522 (15)	0.31815 (13)	0.58636 (8)	0.0419 (4)
H82A	1.3145	0.3065	0.6054	0.063*
H82B	1.2218	0.3846	0.5793	0.063*
H82C	1.2714	0.2958	0.5457	0.063*
C92	1.09684 (15)	0.28551 (14)	0.60190 (8)	0.0439 (4)
H92A	1.0551	0.2528	0.6307	0.066*
H92B	1.1128	0.2634	0.5612	0.066*
H92C	1.0632	0.3519	0.5950	0.066*
C102	1.06544 (11)	0.51908 (10)	0.76358 (7)	0.0246 (3)
H10D	1.0393	0.5511	0.7224	0.029*
C112	1.14806 (13)	0.55517 (11)	0.76808 (9)	0.0380 (4)
H11D	1.1999	0.5377	0.7339	0.057*
H11E	1.1728	0.5284	0.8093	0.057*
H11F	1.1246	0.6226	0.7640	0.057*
C122	0.98382 (12)	0.54581 (11)	0.81656 (8)	0.0353 (4)
H12A	0.9314	0.5219	0.8134	0.053*
H12B	0.9596	0.6132	0.8124	0.053*
H12C	1.0081	0.5195	0.8579	0.053*
C132	1.13732 (10)	0.18668 (9)	0.87480 (6)	0.0217 (3)
H13A	1.1489	0.1244	0.8639	0.026*
C142	1.21769 (12)	0.18009 (11)	0.91339 (7)	0.0318 (3)
H14A	1.2806	0.1576	0.8889	0.048*
H14B	1.2136	0.1373	0.9534	0.048*
H14C	1.2102	0.2413	0.9224	0.048*
C152	1.03976 (11)	0.21145 (11)	0.91571 (7)	0.0290 (3)
H15A	0.9885	0.2158	0.8910	0.043*
H15B	1.0283	0.2709	0.9289	0.043*
H15C	1.0401	0.1635	0.9534	0.043*
C13	1.06119 (9)	−0.06050 (9)	0.71879 (7)	0.0203 (3)
C23	1.03369 (10)	−0.04087 (10)	0.65741 (7)	0.0247 (3)
C33	0.96110 (11)	−0.07377 (12)	0.64707 (8)	0.0318 (3)
H33A	0.9427	−0.0611	0.6055	0.038*
C43	0.91489 (11)	−0.12452 (13)	0.69562 (8)	0.0360 (4)
C53	0.94037 (12)	−0.13835 (12)	0.75595 (8)	0.0345 (4)
H53A	0.9078	−0.1709	0.7899	0.041*
C63	1.01165 (11)	−0.10689 (10)	0.76968 (7)	0.0257 (3)
C73	1.07885 (12)	0.01584 (12)	0.60200 (7)	0.0322 (3)
H73A	1.1312	0.0306	0.6173	0.039*
C83	1.00370 (15)	0.10683 (13)	0.57979 (8)	0.0429 (4)
H83A	0.9753	0.1396	0.6158	0.064*
H83B	0.9530	0.0942	0.5629	0.064*
H83C	1.0346	0.1451	0.5465	0.064*
C93	1.12380 (13)	−0.03645 (14)	0.54633 (8)	0.0425 (4)
H93A	1.1737	−0.0934	0.5607	0.064*
H93B	1.1527	0.0024	0.5121	0.064*
H93C	1.0737	−0.0518	0.5306	0.064*
C103	0.8416 (3)	−0.1708 (5)	0.6861 (3)	0.0266 (6)	0.511 (4)
H10E	0.8538	−0.2321	0.7149	0.032*	0.511 (4)
C113	0.7402 (7)	−0.1112 (9)	0.7068 (8)	0.0430 (15)	0.511 (4)
H11G	0.7377	−0.0991	0.7496	0.064*	0.511 (4)
H11H	0.6935	−0.1438	0.7069	0.064*	0.511 (4)
H11I	0.7245	−0.0526	0.6771	0.064*	0.511 (4)
C123	0.8479 (4)	−0.1872 (4)	0.6186 (2)	0.0495 (11)	0.511 (4)
H12D	0.8263	−0.1278	0.5905	0.074*	0.511 (4)
H12E	0.8067	−0.2250	0.6177	0.074*	0.511 (4)
H12F	0.9149	−0.2193	0.6041	0.074*	0.511 (4)
C10'	0.8290 (5)	−0.1377 (4)	0.6714 (4)	0.0266 (6)	0.275 (4)
H10K	0.8210	−0.1048	0.6268	0.032*	0.275 (4)
C11'	0.7340 (15)	−0.1150 (18)	0.7145 (15)	0.0430 (15)	0.275 (4)
H11S	0.7443	−0.1478	0.7579	0.064*	0.275 (4)
H11T	0.6866	−0.1343	0.6989	0.064*	0.275 (4)
H11U	0.7100	−0.0484	0.7145	0.064*	0.275 (4)
C12'	0.8686 (5)	−0.2434 (5)	0.6744 (4)	0.0495 (11)	0.275 (4)
H12M	0.8807	−0.2734	0.7180	0.074*	0.275 (4)
H12N	0.9290	−0.2585	0.6460	0.074*	0.275 (4)
H12O	0.8213	−0.2654	0.6610	0.074*	0.275 (4)
C10"	0.8394 (7)	−0.1707 (9)	0.6908 (8)	0.0266 (6)	0.215 (5)
H10L	0.8299	−0.2139	0.7311	0.032*	0.215 (5)
C11"	0.7455 (8)	−0.0943 (8)	0.6788 (7)	0.0430 (15)	0.215 (5)
H11V	0.7303	−0.0534	0.7103	0.064*	0.215 (5)
H11W	0.6932	−0.1216	0.6825	0.064*	0.215 (5)
H11X	0.7525	−0.0587	0.6361	0.064*	0.215 (5)
C12"	0.8758 (8)	−0.2232 (9)	0.6352 (7)	0.0495 (11)	0.215 (5)
H12P	0.9355	−0.2728	0.6441	0.074*	0.215 (5)
H12Q	0.8885	−0.1808	0.5965	0.074*	0.215 (5)
H12R	0.8269	−0.2498	0.6293	0.074*	0.215 (5)
C133	1.03356 (12)	−0.12598 (11)	0.83796 (7)	0.0307 (3)
H13B	1.0823	−0.0947	0.8396	0.037*
C143	0.94321 (14)	−0.08624 (13)	0.88235 (8)	0.0411 (4)
H14D	0.9165	−0.0199	0.8673	0.062*
H14E	0.9604	−0.0961	0.9255	0.062*
H14F	0.8951	−0.1173	0.8826	0.062*
C153	1.07640 (15)	−0.22956 (12)	0.86230 (9)	0.0432 (4)
H15D	1.1387	−0.2532	0.8376	0.065*
H15E	1.0323	−0.2625	0.8577	0.065*
H15F	1.0855	−0.2390	0.9072	0.065*
N14	0.64547 (8)	0.37269 (8)	0.69304 (5)	0.0195 (2)
N24	0.59834 (8)	0.32283 (8)	0.83007 (5)	0.0192 (2)
C14	0.49712 (15)	0.47920 (14)	0.63875 (9)	0.0239 (4)	0.8452 (18)
C14'	0.4911 (7)	0.4642 (7)	0.6383 (4)	0.0239 (4)	0.1548 (18)
C24	0.55083 (10)	0.41888 (9)	0.69661 (6)	0.0202 (3)
C34	0.49213 (9)	0.41854 (9)	0.75489 (6)	0.0205 (3)
H34A	0.4265	0.4532	0.7514	0.025*
C44	0.51087 (9)	0.37705 (9)	0.81776 (6)	0.0182 (2)
C54	0.42103 (9)	0.40014 (9)	0.86792 (6)	0.0207 (3)
C64	0.55596 (14)	0.49150 (15)	0.57357 (8)	0.0360 (5)	0.8452 (18)
H64A	0.6068	0.5175	0.5766	0.054*	0.8452 (18)
H64B	0.5135	0.5334	0.5427	0.054*	0.8452 (18)
H64C	0.5852	0.4314	0.5598	0.054*	0.8452 (18)
C74	0.44656 (16)	0.57734 (13)	0.65322 (9)	0.0389 (5)	0.8452 (18)
H74A	0.4948	0.6045	0.6595	0.058*	0.8452 (18)
H74B	0.4010	0.5747	0.6918	0.058*	0.8452 (18)
H74C	0.4117	0.6154	0.6175	0.058*	0.8452 (18)
C84	0.41971 (14)	0.43593 (15)	0.63151 (10)	0.0363 (4)	0.8452 (18)
H84A	0.3748	0.4354	0.6706	0.054*	0.8452 (18)
H84B	0.4511	0.3726	0.6237	0.054*	0.8452 (18)
H84C	0.3843	0.4725	0.5957	0.054*	0.8452 (18)
C64'	0.3814 (6)	0.5075 (7)	0.6545 (5)	0.0360 (5)	0.1548 (18)
H64D	0.3703	0.5528	0.6824	0.054*	0.1548 (18)
H64E	0.3525	0.4590	0.6762	0.054*	0.1548 (18)
H64F	0.3521	0.5382	0.6153	0.054*	0.1548 (18)
C74'	0.5032 (8)	0.3980 (6)	0.5916 (5)	0.0389 (5)	0.1548 (18)
H74D	0.4611	0.4277	0.5579	0.058*	0.1548 (18)
H74E	0.4842	0.3449	0.6168	0.058*	0.1548 (18)
H74F	0.5702	0.3770	0.5725	0.058*	0.1548 (18)
C84'	0.5306 (7)	0.5443 (7)	0.6025 (5)	0.0363 (4)	0.1548 (18)
H84D	0.5223	0.5879	0.6311	0.054*	0.1548 (18)
H84E	0.4954	0.5762	0.5658	0.054*	0.1548 (18)
H84F	0.5993	0.5196	0.5880	0.054*	0.1548 (18)
C94	0.37929 (11)	0.50562 (10)	0.86312 (7)	0.0277 (3)
H94A	0.3221	0.5203	0.8942	0.042*
H94B	0.3614	0.5332	0.8202	0.042*
H94C	0.4279	0.5305	0.8718	0.042*
C104	0.34602 (10)	0.36013 (11)	0.85311 (7)	0.0278 (3)
H10F	0.2874	0.3760	0.8829	0.042*
H10G	0.3726	0.2928	0.8574	0.042*
H10H	0.3304	0.3862	0.8096	0.042*
C114	0.43736 (10)	0.36092 (11)	0.93765 (7)	0.0259 (3)
H11J	0.3762	0.3794	0.9648	0.039*
H11K	0.4844	0.3849	0.9494	0.039*
H11L	0.4619	0.2934	0.9433	0.039*
C15	0.71209 (9)	0.36688 (9)	0.63589 (6)	0.0196 (3)
C25	0.77008 (11)	0.42578 (10)	0.61851 (7)	0.0249 (3)
C35	0.83481 (10)	0.41770 (10)	0.56308 (7)	0.0252 (3)
H35A	0.8730	0.4586	0.5505	0.030*
C45	0.84522 (10)	0.35244 (9)	0.52595 (6)	0.0219 (3)
C55	0.79103 (10)	0.29108 (10)	0.54714 (7)	0.0253 (3)
H55A	0.7998	0.2436	0.5235	0.030*
C65	0.72490 (10)	0.29647 (10)	0.60124 (7)	0.0237 (3)
C75	0.76521 (13)	0.49685 (12)	0.65829 (8)	0.0366 (4)
H75A	0.7111	0.4965	0.6932	0.044*
C85	0.85866 (16)	0.46964 (15)	0.68890 (9)	0.0500 (5)
H85A	0.8694	0.4076	0.7143	0.075*
H85B	0.8535	0.5138	0.7164	0.075*
H85C	0.9129	0.4700	0.6556	0.075*
C95	0.74523 (15)	0.59482 (13)	0.62020 (10)	0.0474 (5)
H95A	0.6849	0.6116	0.6014	0.071*
H95B	0.7983	0.5975	0.5864	0.071*
H95C	0.7397	0.6381	0.6484	0.071*
C105	0.91102 (11)	0.34470 (10)	0.46392 (7)	0.0266 (3)
H10I	0.9547	0.2798	0.4673	0.032*
C115	0.85174 (13)	0.36162 (14)	0.40874 (7)	0.0399 (4)
H11M	0.8126	0.3192	0.4181	0.060*
H11N	0.8953	0.3510	0.3696	0.060*
H11O	0.8094	0.4255	0.4032	0.060*
C125	0.97441 (11)	0.40827 (12)	0.44869 (7)	0.0322 (3)
H12G	1.0151	0.3946	0.4828	0.048*
H12H	0.9336	0.4726	0.4449	0.048*
H12I	1.0154	0.3985	0.4085	0.048*
C135	0.6591 (8)	0.2347 (6)	0.6164 (5)	0.0310 (11)	0.458 (7)
H13C	0.6030	0.2628	0.6465	0.037*	0.458 (7)
C145	0.6185 (6)	0.2217 (6)	0.5600 (3)	0.0530 (15)	0.458 (7)
H14G	0.6717	0.1913	0.5305	0.079*	0.458 (7)
H14H	0.5826	0.2820	0.5381	0.079*	0.458 (7)
H14I	0.5754	0.1833	0.5753	0.079*	0.458 (7)
C155	0.7158 (7)	0.1425 (6)	0.6520 (4)	0.0555 (13)	0.458 (7)
H15G	0.7534	0.1533	0.6810	0.083*	0.458 (7)
H15H	0.7596	0.1053	0.6215	0.083*	0.458 (7)
H15I	0.6711	0.1096	0.6764	0.083*	0.458 (7)
C13"	0.6749 (7)	0.2223 (5)	0.6273 (4)	0.0310 (11)	0.542 (7)
H13D	0.6104	0.2526	0.6492	0.037*	0.542 (7)
C14"	0.6574 (5)	0.1824 (5)	0.5733 (3)	0.0530 (15)	0.542 (7)
H14J	0.7192	0.1460	0.5539	0.079*	0.542 (7)
H14K	0.6259	0.2330	0.5412	0.079*	0.542 (7)
H14L	0.6159	0.1428	0.5904	0.079*	0.542 (7)
C15"	0.7294 (6)	0.1452 (5)	0.6760 (3)	0.0555 (13)	0.542 (7)
H15J	0.7922	0.1125	0.6556	0.083*	0.542 (7)
H15K	0.6920	0.1018	0.6933	0.083*	0.542 (7)
H15L	0.7389	0.1717	0.7106	0.083*	0.542 (7)
C16	0.63175 (9)	0.27651 (9)	0.89062 (6)	0.0195 (3)
C26	0.67526 (10)	0.31968 (10)	0.92223 (6)	0.0216 (3)
C36	0.72082 (10)	0.26877 (10)	0.97519 (7)	0.0239 (3)
H36A	0.7496	0.2980	0.9971	0.029*
C46	0.72587 (10)	0.17709 (10)	0.99723 (7)	0.0247 (3)
C56	0.68190 (10)	0.13622 (10)	0.96500 (7)	0.0250 (3)
H56A	0.6838	0.0736	0.9799	0.030*
C66	0.63525 (10)	0.18351 (10)	0.91176 (6)	0.0216 (3)
C76	0.67738 (10)	0.41850 (10)	0.89885 (7)	0.0249 (3)
H76A	0.6328	0.4469	0.8653	0.030*
C86	0.64319 (12)	0.47692 (11)	0.95159 (8)	0.0331 (3)
H86A	0.5774	0.4773	0.9696	0.050*
H86B	0.6441	0.5403	0.9340	0.050*
H86C	0.6862	0.4507	0.9850	0.050*
C96	0.77857 (13)	0.42012 (13)	0.86881 (9)	0.0431 (4)
H96A	0.7990	0.3843	0.8341	0.065*
H96B	0.8236	0.3931	0.9010	0.065*
H96C	0.7781	0.4840	0.8521	0.065*
C106	0.78172 (11)	0.12211 (11)	1.05258 (7)	0.0293 (3)
H10J	0.8012	0.1664	1.0708	0.035*
C116	0.72173 (12)	0.07643 (12)	1.10528 (7)	0.0361 (4)
H11P	0.6634	0.1233	1.1194	0.054*
H11Q	0.7595	0.0458	1.1411	0.054*
H11R	0.7035	0.0307	1.0894	0.054*
C126	0.87401 (11)	0.05167 (11)	1.02930 (8)	0.0318 (3)
H12J	0.9121	0.0834	0.9963	0.048*
H12K	0.8574	0.0065	1.0117	0.048*
H12L	0.9117	0.0199	1.0649	0.048*
C136	0.59303 (10)	0.13234 (10)	0.87744 (7)	0.0249 (3)
H13E	0.5593	0.1775	0.8422	0.030*
C146	0.51947 (12)	0.09074 (12)	0.92189 (8)	0.0336 (3)
H14M	0.4670	0.1400	0.9390	0.050*
H14N	0.5511	0.0464	0.9569	0.050*
H14O	0.4932	0.0592	0.8982	0.050*
C156	0.67379 (12)	0.05648 (12)	0.84820 (8)	0.0356 (4)
H15M	0.7202	0.0839	0.8197	0.053*
H15N	0.6461	0.0266	0.8241	0.053*
H15O	0.7067	0.0105	0.8821	0.053*
C17	0.6707 (5)	0.8041 (4)	0.9284 (3)	0.0645 (16)	0.608 (5)
H17A	0.6215	0.8632	0.9329	0.097*	0.608 (5)
H17B	0.7309	0.8154	0.9068	0.097*	0.608 (5)
H17C	0.6818	0.7670	0.9706	0.097*	0.608 (5)
C27	0.6369 (3)	0.7532 (2)	0.89003 (17)	0.0476 (10)	0.608 (5)
C37	0.5426 (3)	0.7481 (3)	0.9019 (2)	0.0412 (10)	0.608 (5)
H37	0.4995	0.7772	0.9345	0.049*	0.608 (5)
C47	0.5115 (4)	0.7019 (3)	0.8674 (3)	0.0570 (14)	0.608 (5)
H47	0.4471	0.6991	0.8768	0.068*	0.608 (5)
C57	0.5711 (4)	0.6591 (3)	0.8191 (2)	0.0693 (15)	0.608 (5)
H57	0.5485	0.6273	0.7953	0.083*	0.608 (5)
C67	0.6631 (4)	0.6637 (3)	0.80653 (18)	0.0727 (17)	0.608 (5)
H67	0.7042	0.6375	0.7721	0.087*	0.608 (5)
C77	0.6977 (5)	0.7061 (5)	0.8431 (3)	0.070 (2)	0.608 (5)
H77	0.7639	0.7031	0.8362	0.084*	0.608 (5)
C17'	0.5982 (5)	0.6487 (4)	0.7801 (3)	0.074 (2)	0.392 (5)
H17D	0.5801	0.6908	0.7406	0.111*	0.392 (5)
H17E	0.5477	0.6193	0.7981	0.111*	0.392 (5)
H17F	0.6592	0.6012	0.7712	0.111*	0.392 (5)
C27'	0.6099 (5)	0.7019 (3)	0.8265 (2)	0.067 (2)	0.392 (5)
C37'	0.6970 (7)	0.7161 (6)	0.8285 (4)	0.072 (3)	0.392 (5)
H37'	0.7503	0.6915	0.7993	0.086*	0.392 (5)
C47'	0.7099 (6)	0.7637 (6)	0.8703 (4)	0.124 (4)	0.392 (5)
H47'	0.7713	0.7710	0.8702	0.148*	0.392 (5)
C57'	0.6331 (7)	0.8014 (6)	0.9129 (4)	0.097 (5)	0.392 (5)
H57'	0.6408	0.8356	0.9420	0.116*	0.392 (5)
C67'	0.5465 (6)	0.7887 (6)	0.9127 (4)	0.079 (4)	0.392 (5)
H67'	0.4937	0.8139	0.9422	0.095*	0.392 (5)
C77'	0.5333 (7)	0.7401 (6)	0.8706 (4)	0.081 (4)	0.392 (5)
H77'	0.4718	0.7324	0.8714	0.098*	0.392 (5)
C18	−0.1575 (16)	0.5716 (10)	0.9846 (3)	0.067 (3)	0.50
H18A	−0.1657	0.5777	0.9398	0.100*	0.50
H18B	−0.1784	0.6329	0.9966	0.100*	0.50
H18C	−0.1965	0.5341	1.0111	0.100*	0.50
C28	−0.0552 (3)	0.5265 (3)	0.99378 (14)	0.0384 (8)	0.50
C38	0.0049 (18)	0.5795 (10)	0.9871 (3)	0.042 (3)	0.50
H38	−0.0193	0.6448	0.9767	0.051*	0.50
C48	0.1017 (3)	0.5374 (4)	0.99566 (18)	0.0579 (12)	0.50
H48	0.1435	0.5743	0.9908	0.070*	0.50
C58	0.1377 (17)	0.4428 (9)	1.0111 (3)	0.067 (3)	0.50
H58	0.2036	0.4144	1.0174	0.080*	0.50
C68	0.0764 (3)	0.3896 (3)	1.01743 (18)	0.0540 (10)	0.50
H68	0.1004	0.3242	1.0275	0.065*	0.50
C78	−0.0222 (18)	0.4327 (10)	1.0089 (3)	0.042 (3)	0.50
H78	−0.0648	0.3967	1.0136	0.051*	0.50
C19	0.3795 (10)	0.0612 (13)	0.4819 (6)	0.090 (3)	0.313 (8)
H19A	0.3834	0.1245	0.4722	0.134*	0.313 (8)
H19B	0.3283	0.0564	0.5167	0.134*	0.313 (8)
H19C	0.3650	0.0454	0.4441	0.134*	0.313 (8)
C29	0.4776 (9)	−0.0066 (10)	0.5018 (5)	0.059 (3)	0.313 (8)
C39	0.4950 (11)	−0.0999 (10)	0.5125 (5)	0.067 (5)	0.313 (8)
H39	0.4468	−0.1255	0.5080	0.080*	0.313 (8)
C49	0.5809 (11)	−0.1552 (8)	0.5295 (6)	0.087 (5)	0.313 (8)
H49	0.5930	−0.2203	0.5368	0.104*	0.313 (8)
C59	0.6515 (10)	−0.1199 (10)	0.5366 (7)	0.093 (3)	0.313 (8)
H59	0.7118	−0.1596	0.5490	0.112*	0.313 (8)
C69	0.6328 (12)	−0.0261 (11)	0.5253 (11)	0.086 (3)	0.313 (8)
H69	0.6808	0.0001	0.5295	0.104*	0.313 (8)
C79	0.5471 (11)	0.0289 (12)	0.5085 (11)	0.055 (2)	0.313 (8)
H79	0.5347	0.0939	0.5011	0.066*	0.313 (8)
C19'	0.3727 (18)	0.121 (2)	0.4765 (11)	0.085 (3)	0.187 (8)
H19D	0.3905	0.1759	0.4785	0.128*	0.187 (8)
H19E	0.3156	0.1186	0.5069	0.128*	0.187 (8)
H19F	0.3582	0.1248	0.4334	0.128*	0.187 (8)
C29'	0.4585 (13)	0.0323 (15)	0.4934 (9)	0.065 (3)	0.187 (8)
C39'	0.4537 (15)	−0.0538 (17)	0.4967 (9)	0.055 (2)	0.187 (8)
H39'	0.3968	−0.0632	0.4886	0.066*	0.187 (8)
C49'	0.5323 (15)	−0.1268 (17)	0.5118 (9)	0.063 (7)	0.187 (8)
H49'	0.5306	−0.1881	0.5144	0.076*	0.187 (8)
C59'	0.6125 (17)	−0.1119 (19)	0.5231 (12)	0.085 (3)	0.187 (8)
H59'	0.6669	−0.1633	0.5337	0.102*	0.187 (8)
C69'	0.6171 (19)	−0.0249 (18)	0.5197 (18)	0.086 (3)	0.187 (8)
H69'	0.6740	−0.0153	0.5276	0.104*	0.187 (8)
C79'	0.5394 (18)	0.0471 (17)	0.5048 (16)	0.055 (2)	0.187 (8)
H79'	0.5411	0.1083	0.5023	0.066*	0.187 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.01367 (9)	0.02020 (10)	0.02479 (10)	−0.00369 (7)	−0.00026 (7)	−0.00799 (8)
Fe2	0.01355 (9)	0.02779 (11)	0.01987 (10)	−0.00230 (8)	0.00011 (7)	−0.00233 (8)
C1	0.0163 (6)	0.0271 (7)	0.0269 (7)	−0.0033 (5)	−0.0032 (5)	−0.0058 (6)
O1	0.0209 (5)	0.0315 (6)	0.0222 (5)	−0.0011 (4)	−0.0015 (4)	−0.0020 (4)
O2	0.0173 (5)	0.0432 (6)	0.0228 (5)	0.0022 (4)	−0.0011 (4)	0.0008 (5)
O3	0.0163 (5)	0.0568 (8)	0.0323 (6)	0.0050 (5)	−0.0001 (4)	−0.0002 (5)
N11	0.0195 (5)	0.0203 (5)	0.0187 (5)	−0.0083 (4)	−0.0001 (4)	−0.0053 (4)
N21	0.0158 (5)	0.0201 (5)	0.0181 (5)	−0.0055 (4)	−0.0021 (4)	−0.0052 (4)
C11	0.0188 (7)	0.0400 (9)	0.0286 (8)	−0.0148 (6)	0.0026 (6)	−0.0106 (6)
C21	0.0179 (6)	0.0284 (7)	0.0155 (6)	−0.0095 (5)	−0.0005 (5)	−0.0047 (5)
C31	0.0152 (6)	0.0259 (7)	0.0192 (6)	−0.0036 (5)	−0.0012 (5)	−0.0061 (5)
C41	0.0191 (6)	0.0215 (6)	0.0154 (6)	−0.0035 (5)	−0.0023 (5)	−0.0047 (5)
C51	0.0217 (7)	0.0219 (7)	0.0283 (7)	−0.0017 (5)	−0.0024 (5)	−0.0093 (6)
C61	0.0273 (8)	0.0467 (10)	0.0416 (9)	−0.0241 (7)	0.0024 (7)	−0.0139 (8)
C71	0.0287 (8)	0.0581 (11)	0.0348 (9)	−0.0251 (8)	0.0113 (7)	−0.0158 (8)
C81	0.0224 (7)	0.0522 (10)	0.0422 (10)	−0.0146 (7)	−0.0081 (7)	−0.0109 (8)
C91	0.0302 (8)	0.0353 (9)	0.0378 (9)	−0.0062 (7)	0.0056 (7)	−0.0198 (7)
C101	0.0371 (9)	0.0243 (8)	0.0449 (10)	0.0007 (7)	−0.0143 (7)	−0.0058 (7)
C111	0.0292 (8)	0.0231 (7)	0.0427 (9)	−0.0039 (6)	−0.0029 (7)	−0.0148 (7)
C12	0.0206 (6)	0.0215 (6)	0.0215 (6)	−0.0104 (5)	−0.0001 (5)	−0.0058 (5)
C22	0.0305 (7)	0.0271 (7)	0.0176 (6)	−0.0140 (6)	0.0002 (5)	−0.0049 (5)
C32	0.0337 (8)	0.0228 (7)	0.0201 (7)	−0.0138 (6)	−0.0027 (6)	0.0000 (5)
C42	0.0248 (7)	0.0210 (6)	0.0232 (7)	−0.0110 (5)	−0.0025 (5)	−0.0037 (5)
C52	0.0273 (7)	0.0231 (7)	0.0195 (6)	−0.0118 (6)	−0.0004 (5)	−0.0056 (5)
C62	0.0212 (6)	0.0234 (7)	0.0187 (6)	−0.0115 (5)	−0.0006 (5)	−0.0037 (5)
C72	0.0490 (10)	0.0263 (7)	0.0181 (7)	−0.0144 (7)	0.0010 (6)	−0.0043 (6)
C82	0.0597 (12)	0.0444 (10)	0.0232 (8)	−0.0245 (9)	0.0092 (8)	−0.0065 (7)
C92	0.0675 (13)	0.0533 (11)	0.0230 (8)	−0.0323 (10)	−0.0084 (8)	−0.0071 (8)
C102	0.0310 (7)	0.0202 (7)	0.0246 (7)	−0.0107 (6)	−0.0042 (6)	−0.0027 (5)
C112	0.0369 (9)	0.0276 (8)	0.0550 (11)	−0.0159 (7)	−0.0045 (8)	−0.0095 (7)
C122	0.0384 (9)	0.0275 (8)	0.0391 (9)	−0.0107 (7)	0.0044 (7)	−0.0099 (7)
C132	0.0270 (7)	0.0208 (6)	0.0188 (6)	−0.0101 (5)	−0.0007 (5)	−0.0037 (5)
C142	0.0368 (9)	0.0360 (8)	0.0262 (8)	−0.0185 (7)	−0.0083 (6)	0.0026 (6)
C152	0.0333 (8)	0.0297 (8)	0.0230 (7)	−0.0131 (6)	0.0036 (6)	−0.0025 (6)
C13	0.0173 (6)	0.0212 (6)	0.0249 (7)	−0.0057 (5)	−0.0018 (5)	−0.0097 (5)
C23	0.0212 (7)	0.0304 (7)	0.0250 (7)	−0.0076 (6)	−0.0030 (5)	−0.0095 (6)
C33	0.0246 (7)	0.0458 (9)	0.0309 (8)	−0.0111 (7)	−0.0056 (6)	−0.0159 (7)
C43	0.0251 (8)	0.0526 (10)	0.0417 (9)	−0.0198 (7)	0.0024 (7)	−0.0238 (8)
C53	0.0332 (8)	0.0472 (10)	0.0331 (8)	−0.0256 (7)	0.0073 (7)	−0.0161 (7)
C63	0.0268 (7)	0.0295 (7)	0.0260 (7)	−0.0139 (6)	0.0016 (6)	−0.0107 (6)
C73	0.0349 (8)	0.0470 (10)	0.0211 (7)	−0.0197 (7)	−0.0078 (6)	−0.0035 (7)
C83	0.0616 (12)	0.0413 (10)	0.0311 (9)	−0.0184 (9)	−0.0163 (8)	−0.0041 (7)
C93	0.0380 (9)	0.0636 (12)	0.0236 (8)	−0.0128 (9)	−0.0032 (7)	−0.0064 (8)
C103	0.0266 (10)	0.0229 (14)	0.0342 (18)	−0.0119 (11)	−0.0082 (9)	−0.0021 (11)
C113	0.0280 (15)	0.0376 (19)	0.069 (5)	−0.0164 (13)	−0.0023 (18)	−0.013 (2)
C123	0.044 (2)	0.070 (3)	0.058 (3)	−0.036 (2)	0.0010 (18)	−0.035 (2)
C10'	0.0266 (10)	0.0229 (14)	0.0342 (18)	−0.0119 (11)	−0.0082 (9)	−0.0021 (11)
C11'	0.0280 (15)	0.0376 (19)	0.069 (5)	−0.0164 (13)	−0.0023 (18)	−0.013 (2)
C12'	0.044 (2)	0.070 (3)	0.058 (3)	−0.036 (2)	0.0010 (18)	−0.035 (2)
C10"	0.0266 (10)	0.0229 (14)	0.0342 (18)	−0.0119 (11)	−0.0082 (9)	−0.0021 (11)
C11"	0.0280 (15)	0.0376 (19)	0.069 (5)	−0.0164 (13)	−0.0023 (18)	−0.013 (2)
C12"	0.044 (2)	0.070 (3)	0.058 (3)	−0.036 (2)	0.0010 (18)	−0.035 (2)
C133	0.0406 (9)	0.0354 (8)	0.0242 (7)	−0.0235 (7)	−0.0008 (6)	−0.0052 (6)
C143	0.0522 (11)	0.0529 (11)	0.0264 (8)	−0.0297 (9)	0.0084 (7)	−0.0123 (8)
C153	0.0606 (12)	0.0399 (10)	0.0353 (9)	−0.0255 (9)	−0.0083 (8)	−0.0006 (8)
N14	0.0170 (5)	0.0218 (6)	0.0183 (5)	−0.0047 (4)	0.0007 (4)	−0.0044 (4)
N24	0.0157 (5)	0.0223 (6)	0.0184 (5)	−0.0049 (4)	−0.0012 (4)	−0.0027 (4)
C14	0.0228 (7)	0.0268 (10)	0.0200 (7)	−0.0032 (7)	−0.0051 (6)	−0.0042 (6)
C14'	0.0228 (7)	0.0268 (10)	0.0200 (7)	−0.0032 (7)	−0.0051 (6)	−0.0042 (6)
C24	0.0200 (6)	0.0199 (6)	0.0210 (6)	−0.0048 (5)	−0.0031 (5)	−0.0056 (5)
C34	0.0146 (6)	0.0235 (7)	0.0212 (6)	−0.0015 (5)	−0.0019 (5)	−0.0059 (5)
C44	0.0156 (6)	0.0200 (6)	0.0203 (6)	−0.0066 (5)	−0.0002 (5)	−0.0059 (5)
C54	0.0148 (6)	0.0257 (7)	0.0218 (6)	−0.0064 (5)	0.0012 (5)	−0.0070 (5)
C64	0.0306 (10)	0.0477 (12)	0.0203 (9)	−0.0013 (8)	−0.0067 (7)	0.0006 (8)
C74	0.0497 (12)	0.0268 (9)	0.0299 (10)	0.0039 (8)	−0.0097 (9)	−0.0033 (8)
C84	0.0270 (9)	0.0488 (12)	0.0334 (10)	−0.0076 (8)	−0.0112 (8)	−0.0072 (9)
C64'	0.0306 (10)	0.0477 (12)	0.0203 (9)	−0.0013 (8)	−0.0067 (7)	0.0006 (8)
C74'	0.0497 (12)	0.0268 (9)	0.0299 (10)	0.0039 (8)	−0.0097 (9)	−0.0033 (8)
C84'	0.0270 (9)	0.0488 (12)	0.0334 (10)	−0.0076 (8)	−0.0112 (8)	−0.0072 (9)
C94	0.0238 (7)	0.0291 (8)	0.0285 (8)	−0.0047 (6)	0.0033 (6)	−0.0113 (6)
C104	0.0194 (7)	0.0357 (8)	0.0310 (8)	−0.0118 (6)	0.0013 (6)	−0.0091 (6)
C114	0.0191 (6)	0.0353 (8)	0.0215 (7)	−0.0079 (6)	0.0034 (5)	−0.0063 (6)
C15	0.0179 (6)	0.0212 (6)	0.0178 (6)	−0.0052 (5)	−0.0001 (5)	−0.0016 (5)
C25	0.0268 (7)	0.0269 (7)	0.0231 (7)	−0.0124 (6)	0.0011 (6)	−0.0054 (6)
C35	0.0264 (7)	0.0270 (7)	0.0243 (7)	−0.0145 (6)	0.0014 (6)	−0.0019 (6)
C45	0.0202 (6)	0.0233 (7)	0.0190 (6)	−0.0063 (5)	0.0008 (5)	0.0001 (5)
C55	0.0275 (7)	0.0232 (7)	0.0245 (7)	−0.0096 (6)	0.0061 (6)	−0.0066 (6)
C65	0.0224 (7)	0.0233 (7)	0.0259 (7)	−0.0104 (5)	0.0042 (5)	−0.0054 (5)
C75	0.0461 (10)	0.0437 (10)	0.0315 (8)	−0.0307 (8)	0.0118 (7)	−0.0169 (7)
C85	0.0739 (14)	0.0657 (13)	0.0293 (9)	−0.0463 (12)	−0.0068 (9)	−0.0077 (9)
C95	0.0562 (12)	0.0372 (10)	0.0574 (12)	−0.0231 (9)	0.0033 (9)	−0.0199 (9)
C105	0.0265 (7)	0.0281 (7)	0.0209 (7)	−0.0093 (6)	0.0051 (5)	0.0001 (6)
C115	0.0467 (10)	0.0611 (12)	0.0214 (7)	−0.0336 (9)	0.0043 (7)	−0.0064 (7)
C125	0.0289 (8)	0.0452 (9)	0.0227 (7)	−0.0183 (7)	0.0028 (6)	0.0002 (7)
C135	0.038 (3)	0.0323 (19)	0.028 (2)	−0.022 (2)	0.0126 (16)	−0.0112 (15)
C145	0.063 (4)	0.076 (4)	0.045 (2)	−0.055 (3)	0.021 (2)	−0.031 (3)
C155	0.084 (3)	0.0325 (12)	0.054 (4)	−0.0331 (15)	0.002 (3)	0.002 (3)
C13"	0.038 (3)	0.0323 (19)	0.028 (2)	−0.022 (2)	0.0126 (16)	−0.0112 (15)
C14"	0.063 (4)	0.076 (4)	0.045 (2)	−0.055 (3)	0.021 (2)	−0.031 (3)
C15"	0.084 (3)	0.0325 (12)	0.054 (4)	−0.0331 (15)	0.002 (3)	0.002 (3)
C16	0.0146 (6)	0.0246 (7)	0.0170 (6)	−0.0045 (5)	0.0004 (5)	−0.0030 (5)
C26	0.0180 (6)	0.0257 (7)	0.0203 (6)	−0.0065 (5)	0.0003 (5)	−0.0046 (5)
C36	0.0220 (7)	0.0294 (7)	0.0220 (7)	−0.0085 (6)	−0.0032 (5)	−0.0060 (6)
C46	0.0225 (7)	0.0306 (7)	0.0190 (6)	−0.0058 (6)	−0.0031 (5)	−0.0032 (6)
C56	0.0261 (7)	0.0238 (7)	0.0230 (7)	−0.0071 (6)	−0.0026 (5)	−0.0003 (5)
C66	0.0181 (6)	0.0262 (7)	0.0200 (6)	−0.0072 (5)	−0.0004 (5)	−0.0037 (5)
C76	0.0258 (7)	0.0263 (7)	0.0243 (7)	−0.0100 (6)	−0.0042 (6)	−0.0033 (6)
C86	0.0353 (9)	0.0308 (8)	0.0358 (9)	−0.0132 (7)	0.0021 (7)	−0.0112 (7)
C96	0.0408 (10)	0.0397 (10)	0.0484 (11)	−0.0211 (8)	0.0152 (8)	−0.0090 (8)
C106	0.0334 (8)	0.0296 (8)	0.0247 (7)	−0.0073 (6)	−0.0099 (6)	−0.0023 (6)
C116	0.0383 (9)	0.0362 (9)	0.0233 (8)	−0.0001 (7)	−0.0025 (7)	−0.0011 (6)
C126	0.0258 (7)	0.0349 (8)	0.0305 (8)	−0.0060 (6)	−0.0066 (6)	0.0015 (6)
C136	0.0266 (7)	0.0257 (7)	0.0249 (7)	−0.0104 (6)	−0.0049 (6)	−0.0037 (6)
C146	0.0324 (8)	0.0372 (9)	0.0371 (9)	−0.0188 (7)	−0.0013 (7)	−0.0075 (7)
C156	0.0349 (9)	0.0386 (9)	0.0382 (9)	−0.0148 (7)	0.0012 (7)	−0.0154 (7)
C17	0.067 (3)	0.043 (2)	0.086 (4)	−0.031 (2)	0.002 (3)	0.000 (2)
C27	0.053 (2)	0.0329 (18)	0.0419 (19)	−0.0078 (15)	0.0022 (15)	0.0108 (14)
C37	0.0401 (19)	0.037 (2)	0.032 (2)	0.0039 (16)	−0.0039 (18)	−0.001 (2)
C47	0.056 (3)	0.049 (3)	0.049 (2)	0.014 (2)	−0.0247 (19)	−0.004 (2)
C57	0.084 (4)	0.056 (3)	0.045 (2)	0.024 (2)	−0.031 (2)	−0.011 (2)
C67	0.091 (4)	0.062 (3)	0.0300 (19)	0.019 (3)	0.000 (2)	−0.0061 (17)
C77	0.067 (3)	0.058 (3)	0.048 (3)	−0.001 (2)	0.019 (2)	0.017 (3)
C17'	0.074 (5)	0.058 (4)	0.051 (4)	0.017 (3)	0.010 (4)	−0.001 (3)
C27'	0.075 (5)	0.035 (3)	0.045 (3)	0.016 (3)	0.022 (3)	0.012 (3)
C37'	0.081 (5)	0.049 (4)	0.065 (6)	−0.028 (4)	0.049 (4)	−0.001 (4)
C47'	0.131 (8)	0.096 (6)	0.144 (9)	−0.078 (6)	0.073 (7)	−0.025 (6)
C57'	0.147 (14)	0.067 (6)	0.067 (7)	−0.047 (9)	0.038 (8)	−0.010 (5)
C67'	0.079 (6)	0.082 (7)	0.032 (4)	0.023 (6)	0.003 (3)	0.004 (4)
C77'	0.070 (6)	0.088 (8)	0.030 (4)	0.044 (5)	−0.003 (4)	−0.003 (5)
C18	0.041 (8)	0.105 (4)	0.0548 (15)	−0.018 (5)	0.004 (2)	−0.029 (2)
C28	0.0360 (19)	0.058 (2)	0.0275 (17)	−0.0193 (17)	0.0040 (14)	−0.0191 (16)
C38	0.049 (7)	0.052 (3)	0.0359 (11)	−0.028 (5)	−0.001 (2)	−0.0120 (15)
C48	0.053 (3)	0.087 (4)	0.048 (2)	−0.042 (3)	−0.005 (2)	−0.009 (2)
C58	0.041 (8)	0.105 (4)	0.0548 (15)	−0.018 (5)	0.004 (2)	−0.029 (2)
C68	0.061 (3)	0.054 (3)	0.041 (2)	−0.007 (2)	0.0030 (19)	−0.0192 (19)
C78	0.049 (7)	0.052 (3)	0.0359 (11)	−0.028 (5)	−0.001 (2)	−0.0120 (15)
C19	0.086 (6)	0.105 (8)	0.088 (5)	−0.030 (7)	−0.028 (4)	−0.021 (7)
C29	0.073 (6)	0.084 (7)	0.043 (4)	−0.042 (6)	−0.011 (4)	−0.030 (5)
C39	0.091 (12)	0.100 (12)	0.040 (6)	−0.075 (10)	0.027 (7)	−0.034 (7)
C49	0.135 (14)	0.056 (6)	0.053 (7)	−0.026 (8)	0.029 (7)	−0.015 (5)
C59	0.081 (7)	0.102 (6)	0.099 (7)	−0.015 (6)	−0.022 (5)	−0.030 (6)
C69	0.069 (6)	0.116 (7)	0.104 (6)	−0.063 (6)	0.019 (5)	−0.048 (5)
C79	0.070 (4)	0.075 (6)	0.041 (3)	−0.048 (4)	0.014 (2)	−0.028 (4)
C19'	0.085 (6)	0.098 (6)	0.090 (5)	−0.026 (6)	−0.031 (4)	−0.039 (5)
C29'	0.075 (6)	0.091 (8)	0.052 (5)	−0.039 (6)	−0.011 (4)	−0.035 (6)
C39'	0.070 (4)	0.075 (6)	0.041 (3)	−0.048 (4)	0.014 (2)	−0.028 (4)
C49'	0.085 (19)	0.095 (18)	0.035 (10)	−0.061 (15)	0.003 (9)	−0.017 (9)
C59'	0.085 (6)	0.098 (6)	0.090 (5)	−0.026 (6)	−0.031 (4)	−0.039 (5)
C69'	0.069 (6)	0.116 (7)	0.104 (6)	−0.063 (6)	0.019 (5)	−0.048 (5)
C79'	0.070 (4)	0.075 (6)	0.041 (3)	−0.048 (4)	0.014 (2)	−0.028 (4)

Geometric parameters (Å, º)

Fe1—N11	1.9754 (11)	C84'—H84D	0.9800
Fe1—N21	1.9763 (11)	C84'—H84E	0.9800
Fe1—O2	2.0293 (10)	C84'—H84F	0.9800
Fe1—O1	2.0692 (10)	C94—H94A	0.9800
Fe2—O3	1.8563 (11)	C94—H94B	0.9800
Fe2—N14	1.9427 (11)	C94—H94C	0.9800
Fe2—N24	1.9816 (11)	C104—H10F	0.9800
C1—O1	1.2715 (17)	C104—H10G	0.9800
C1—O2	1.2745 (17)	C104—H10H	0.9800
C1—O3	1.2897 (17)	C114—H11J	0.9800
N11—C21	1.3378 (17)	C114—H11K	0.9800
N11—C12	1.4398 (17)	C114—H11L	0.9800
N21—C41	1.3363 (16)	C15—C25	1.4016 (19)
N21—C13	1.4400 (16)	C15—C65	1.4037 (19)
C11—C61	1.535 (2)	C25—C35	1.3989 (19)
C11—C81	1.540 (2)	C25—C75	1.520 (2)
C11—C71	1.545 (2)	C35—C45	1.382 (2)
C11—C21	1.5605 (18)	C35—H35A	0.9500
C21—C31	1.4091 (19)	C45—C55	1.3937 (19)
C31—C41	1.4080 (19)	C45—C105	1.5171 (19)
C31—H31A	0.9500	C55—C65	1.3866 (19)
C41—C51	1.5637 (19)	C55—H55A	0.9500
C51—C111	1.536 (2)	C65—C13"	1.523 (5)
C51—C101	1.541 (2)	C65—C135	1.528 (6)
C51—C91	1.542 (2)	C75—C95	1.530 (3)
C61—H61A	0.9800	C75—C85	1.532 (3)
C61—H61B	0.9800	C75—H75A	1.0000
C61—H61C	0.9800	C85—H85A	0.9800
C71—H71A	0.9800	C85—H85B	0.9800
C71—H71B	0.9800	C85—H85C	0.9800
C71—H71C	0.9800	C95—H95A	0.9800
C81—H81A	0.9800	C95—H95B	0.9800
C81—H81B	0.9800	C95—H95C	0.9800
C81—H81C	0.9800	C105—C125	1.522 (2)
C91—H91A	0.9800	C105—C115	1.534 (2)
C91—H91B	0.9800	C105—H10I	1.0000
C91—H91C	0.9800	C115—H11M	0.9800
C101—H10A	0.9800	C115—H11N	0.9800
C101—H10B	0.9800	C115—H11O	0.9800
C101—H10C	0.9800	C125—H12G	0.9800
C111—H11A	0.9800	C125—H12H	0.9800
C111—H11B	0.9800	C125—H12I	0.9800
C111—H11C	0.9800	C135—C155	1.523 (6)
C12—C62	1.4093 (18)	C135—C145	1.531 (6)
C12—C22	1.4114 (19)	C135—H13C	1.0000
C22—C32	1.392 (2)	C145—H14G	0.9800
C22—C72	1.5228 (19)	C145—H14H	0.9800
C32—C42	1.390 (2)	C145—H14I	0.9800
C32—H32A	0.9500	C155—H15G	0.9800
C42—C52	1.3893 (19)	C155—H15H	0.9800
C42—C102	1.5171 (19)	C155—H15I	0.9800
C52—C62	1.3969 (19)	C13"—C15"	1.526 (5)
C52—H52A	0.9500	C13"—C14"	1.532 (6)
C62—C132	1.5249 (18)	C13"—H13D	1.0000
C72—C92	1.530 (2)	C14"—H14J	0.9800
C72—C82	1.531 (2)	C14"—H14K	0.9800
C72—H72A	1.0000	C14"—H14L	0.9800
C82—H82A	0.9800	C15"—H15J	0.9800
C82—H82B	0.9800	C15"—H15K	0.9800
C82—H82C	0.9800	C15"—H15L	0.9800
C92—H92A	0.9800	C16—C26	1.4038 (19)
C92—H92B	0.9800	C16—C66	1.4066 (19)
C92—H92C	0.9800	C26—C36	1.3904 (19)
C102—C112	1.526 (2)	C26—C76	1.520 (2)
C102—C122	1.529 (2)	C36—C46	1.384 (2)
C102—H10D	1.0000	C36—H36A	0.9500
C112—H11D	0.9800	C46—C56	1.392 (2)
C112—H11E	0.9800	C46—C106	1.517 (2)
C112—H11F	0.9800	C56—C66	1.3906 (19)
C122—H12A	0.9800	C56—H56A	0.9500
C122—H12B	0.9800	C66—C136	1.5236 (19)
C122—H12C	0.9800	C76—C96	1.527 (2)
C132—C152	1.532 (2)	C76—C86	1.528 (2)
C132—C142	1.535 (2)	C76—H76A	1.0000
C132—H13A	1.0000	C86—H86A	0.9800
C142—H14A	0.9800	C86—H86B	0.9800
C142—H14B	0.9800	C86—H86C	0.9800
C142—H14C	0.9800	C96—H96A	0.9800
C152—H15A	0.9800	C96—H96B	0.9800
C152—H15B	0.9800	C96—H96C	0.9800
C152—H15C	0.9800	C106—C116	1.516 (2)
C13—C23	1.4025 (19)	C106—C126	1.528 (2)
C13—C63	1.4106 (19)	C106—H10J	1.0000
C23—C33	1.398 (2)	C116—H11P	0.9800
C23—C73	1.520 (2)	C116—H11Q	0.9800
C33—C43	1.392 (2)	C116—H11R	0.9800
C33—H33A	0.9500	C126—H12J	0.9800
C43—C53	1.379 (2)	C126—H12K	0.9800
C43—C10"	1.539 (7)	C126—H12L	0.9800
C43—C10'	1.542 (6)	C136—C146	1.533 (2)
C43—C103	1.545 (4)	C136—C156	1.534 (2)
C53—C63	1.395 (2)	C136—H13E	1.0000
C53—H53A	0.9500	C146—H14M	0.9800
C63—C133	1.518 (2)	C146—H14N	0.9800
C73—C83	1.528 (2)	C146—H14O	0.9800
C73—C93	1.533 (2)	C156—H15M	0.9800
C73—H73A	1.0000	C156—H15N	0.9800
C83—H83A	0.9800	C156—H15O	0.9800
C83—H83B	0.9800	C17—C27	1.504 (6)
C83—H83C	0.9800	C17—H17A	0.9800
C93—H93A	0.9800	C17—H17B	0.9800
C93—H93B	0.9800	C17—H17C	0.9800
C93—H93C	0.9800	C27—C77	1.395 (7)
C103—C123	1.522 (5)	C27—C37	1.396 (6)
C103—C113	1.529 (6)	C37—C47	1.362 (7)
C103—H10E	1.0000	C37—H37	0.9500
C113—H11G	0.9800	C47—C57	1.382 (7)
C113—H11H	0.9800	C47—H47	0.9500
C113—H11I	0.9800	C57—C67	1.360 (8)
C123—H12D	0.9800	C57—H57	0.9500
C123—H12E	0.9800	C67—C77	1.385 (8)
C123—H12F	0.9800	C67—H67	0.9500
C10'—C11'	1.524 (8)	C77—H77	0.9500
C10'—C12'	1.546 (6)	C17'—C27'	1.498 (8)
C10'—H10K	1.0000	C17'—H17D	0.9800
C11'—H11S	0.9800	C17'—H17E	0.9800
C11'—H11T	0.9800	C17'—H17F	0.9800
C11'—H11U	0.9800	C27'—C37'	1.384 (10)
C12'—H12M	0.9800	C27'—C77'	1.403 (8)
C12'—H12N	0.9800	C37'—C47'	1.360 (10)
C12'—H12O	0.9800	C37'—H37'	0.9500
C10"—C12"	1.523 (7)	C47'—C57'	1.384 (9)
C10"—C11"	1.524 (8)	C47'—H47'	0.9500
C10"—H10L	1.0000	C57'—C67'	1.357 (10)
C11"—H11V	0.9800	C57'—H57'	0.9500
C11"—H11W	0.9800	C67'—C77'	1.379 (10)
C11"—H11X	0.9800	C67'—H67'	0.9500
C12"—H12P	0.9800	C77'—H77'	0.9500
C12"—H12Q	0.9800	C18—C28	1.47 (2)
C12"—H12R	0.9800	C18—H18A	0.9800
C133—C143	1.534 (2)	C18—H18B	0.9800
C133—C153	1.536 (2)	C18—H18C	0.9800
C133—H13B	1.0000	C28—C78	1.363 (15)
C143—H14D	0.9800	C28—C38	1.367 (16)
C143—H14E	0.9800	C38—C48	1.39 (3)
C143—H14F	0.9800	C38—H38	0.9500
C153—H15D	0.9800	C48—C58	1.378 (15)
C153—H15E	0.9800	C48—H48	0.9500
C153—H15F	0.9800	C58—C68	1.385 (16)
N14—C24	1.3440 (17)	C58—H58	0.9500
N14—C15	1.4397 (16)	C68—C78	1.42 (3)
N24—C44	1.3286 (17)	C68—H68	0.9500
N24—C16	1.4413 (17)	C78—H78	0.9500
C14—C64	1.533 (3)	C19—C29	1.558 (18)
C14—C74	1.538 (3)	C19—H19A	0.9800
C14—C84	1.548 (3)	C19—H19B	0.9800
C14—C24	1.563 (2)	C19—H19C	0.9800
C14'—C74'	1.544 (7)	C29—C79	1.355 (11)
C14'—C64'	1.546 (7)	C29—C39	1.362 (12)
C14'—C84'	1.547 (7)	C39—C49	1.343 (12)
C14'—C24	1.575 (8)	C39—H39	0.9500
C24—C34	1.4012 (18)	C49—C59	1.371 (12)
C34—C44	1.4110 (19)	C49—H49	0.9500
C34—H34A	0.9500	C59—C69	1.368 (12)
C44—C54	1.5560 (18)	C59—H59	0.9500
C54—C114	1.5343 (19)	C69—C79	1.337 (12)
C54—C94	1.540 (2)	C69—H69	0.9500
C54—C104	1.5429 (19)	C79—H79	0.9500
C64—H64A	0.9800	C19'—C29'	1.57 (2)
C64—H64B	0.9800	C19'—H19D	0.9800
C64—H64C	0.9800	C19'—H19E	0.9800
C74—H74A	0.9800	C19'—H19F	0.9800
C74—H74B	0.9800	C29'—C39'	1.349 (13)
C74—H74C	0.9800	C29'—C79'	1.361 (13)
C84—H84A	0.9800	C39'—C49'	1.363 (14)
C84—H84B	0.9800	C39'—H39'	0.9500
C84—H84C	0.9800	C49'—C59'	1.351 (14)
C64'—H64D	0.9800	C49'—H49'	0.9500
C64'—H64E	0.9800	C59'—C69'	1.363 (14)
C64'—H64F	0.9800	C59'—H59'	0.9500
C74'—H74D	0.9800	C69'—C79'	1.345 (13)
C74'—H74E	0.9800	C69'—H69'	0.9500
C74'—H74F	0.9800	C79'—H79'	0.9500
N11—Fe1—N21	97.44 (4)	C14'—C74'—H74F	111.4
N11—Fe1—O2	126.06 (5)	H74D—C74'—H74F	109.5
N21—Fe1—O2	118.41 (5)	H74E—C74'—H74F	109.5
N11—Fe1—O1	125.21 (4)	C14'—C84'—H84D	109.5
N21—Fe1—O1	125.81 (4)	C14'—C84'—H84E	109.5
O2—Fe1—O1	64.41 (4)	H84D—C84'—H84E	109.5
O3—Fe2—N14	152.19 (5)	C14'—C84'—H84F	109.5
O3—Fe2—N24	111.46 (5)	H84D—C84'—H84F	109.5
N14—Fe2—N24	96.34 (5)	H84E—C84'—H84F	109.5
O1—C1—O2	118.19 (12)	C54—C94—H94A	109.5
O1—C1—O3	122.12 (13)	C54—C94—H94B	109.5
O2—C1—O3	119.68 (13)	H94A—C94—H94B	109.5
C1—O1—Fe1	87.85 (8)	C54—C94—H94C	109.5
C1—O2—Fe1	89.54 (8)	H94A—C94—H94C	109.5
C1—O3—Fe2	138.24 (11)	H94B—C94—H94C	109.5
C21—N11—C12	128.05 (11)	C54—C104—H10F	109.5
C21—N11—Fe1	123.30 (9)	C54—C104—H10G	109.5
C12—N11—Fe1	108.05 (8)	H10F—C104—H10G	109.5
C41—N21—C13	126.17 (11)	C54—C104—H10H	109.5
C41—N21—Fe1	123.05 (9)	H10F—C104—H10H	109.5
C13—N21—Fe1	110.10 (8)	H10G—C104—H10H	109.5
C61—C11—C81	106.25 (13)	C54—C114—H11J	109.5
C61—C11—C71	107.21 (13)	C54—C114—H11K	109.5
C81—C11—C71	108.70 (13)	H11J—C114—H11K	109.5
C61—C11—C21	116.66 (12)	C54—C114—H11L	109.5
C81—C11—C21	108.52 (12)	H11J—C114—H11L	109.5
C71—C11—C21	109.25 (12)	H11K—C114—H11L	109.5
N11—C21—C31	120.91 (12)	C25—C15—C65	120.32 (12)
N11—C21—C11	125.96 (12)	C25—C15—N14	119.89 (12)
C31—C21—C11	113.12 (12)	C65—C15—N14	119.52 (12)
C41—C31—C21	133.97 (12)	C35—C25—C15	118.48 (13)
C41—C31—H31A	113.0	C35—C25—C75	119.50 (13)
C21—C31—H31A	113.0	C15—C25—C75	122.02 (13)
N21—C41—C31	121.26 (12)	C45—C35—C25	122.44 (13)
N21—C41—C51	125.63 (12)	C45—C35—H35A	118.8
C31—C41—C51	113.07 (11)	C25—C35—H35A	118.8
C111—C51—C101	106.76 (13)	C35—C45—C55	117.33 (12)
C111—C51—C91	106.34 (12)	C35—C45—C105	123.88 (13)
C101—C51—C91	109.55 (13)	C55—C45—C105	118.80 (13)
C111—C51—C41	117.39 (11)	C65—C55—C45	122.73 (13)
C101—C51—C41	107.24 (11)	C65—C55—H55A	118.6
C91—C51—C41	109.39 (12)	C45—C55—H55A	118.6
C11—C61—H61A	109.5	C55—C65—C15	118.44 (12)
C11—C61—H61B	109.5	C55—C65—C13"	121.4 (4)
H61A—C61—H61B	109.5	C15—C65—C13"	119.8 (4)
C11—C61—H61C	109.5	C55—C65—C135	119.3 (5)
H61A—C61—H61C	109.5	C15—C65—C135	121.7 (5)
H61B—C61—H61C	109.5	C25—C75—C95	112.83 (14)
C11—C71—H71A	109.5	C25—C75—C85	110.00 (15)
C11—C71—H71B	109.5	C95—C75—C85	110.37 (14)
H71A—C71—H71B	109.5	C25—C75—H75A	107.8
C11—C71—H71C	109.5	C95—C75—H75A	107.8
H71A—C71—H71C	109.5	C85—C75—H75A	107.8
H71B—C71—H71C	109.5	C75—C85—H85A	109.5
C11—C81—H81A	109.5	C75—C85—H85B	109.5
C11—C81—H81B	109.5	H85A—C85—H85B	109.5
H81A—C81—H81B	109.5	C75—C85—H85C	109.5
C11—C81—H81C	109.5	H85A—C85—H85C	109.5
H81A—C81—H81C	109.5	H85B—C85—H85C	109.5
H81B—C81—H81C	109.5	C75—C95—H95A	109.5
C51—C91—H91A	109.5	C75—C95—H95B	109.5
C51—C91—H91B	109.5	H95A—C95—H95B	109.5
H91A—C91—H91B	109.5	C75—C95—H95C	109.5
C51—C91—H91C	109.5	H95A—C95—H95C	109.5
H91A—C91—H91C	109.5	H95B—C95—H95C	109.5
H91B—C91—H91C	109.5	C45—C105—C125	114.40 (13)
C51—C101—H10A	109.5	C45—C105—C115	110.21 (12)
C51—C101—H10B	109.5	C125—C105—C115	109.71 (12)
H10A—C101—H10B	109.5	C45—C105—H10I	107.4
C51—C101—H10C	109.5	C125—C105—H10I	107.4
H10A—C101—H10C	109.5	C115—C105—H10I	107.4
H10B—C101—H10C	109.5	C105—C115—H11M	109.5
C51—C111—H11A	109.5	C105—C115—H11N	109.5
C51—C111—H11B	109.5	H11M—C115—H11N	109.5
H11A—C111—H11B	109.5	C105—C115—H11O	109.5
C51—C111—H11C	109.5	H11M—C115—H11O	109.5
H11A—C111—H11C	109.5	H11N—C115—H11O	109.5
H11B—C111—H11C	109.5	C105—C125—H12G	109.5
C62—C12—C22	120.00 (12)	C105—C125—H12H	109.5
C62—C12—N11	120.04 (12)	H12G—C125—H12H	109.5
C22—C12—N11	119.40 (12)	C105—C125—H12I	109.5
C32—C22—C12	118.54 (12)	H12G—C125—H12I	109.5
C32—C22—C72	119.34 (13)	H12H—C125—H12I	109.5
C12—C22—C72	122.05 (13)	C155—C135—C65	106.6 (6)
C42—C32—C22	122.79 (13)	C155—C135—C145	111.3 (6)
C42—C32—H32A	118.6	C65—C135—C145	116.4 (6)
C22—C32—H32A	118.6	C155—C135—H13C	107.4
C52—C42—C32	117.45 (13)	C65—C135—H13C	107.4
C52—C42—C102	122.92 (12)	C145—C135—H13C	107.4
C32—C42—C102	119.63 (12)	C65—C13"—C15"	112.9 (5)
C42—C52—C62	122.52 (13)	C65—C13"—C14"	111.0 (5)
C42—C52—H52A	118.7	C15"—C13"—C14"	110.5 (5)
C62—C52—H52A	118.7	C65—C13"—H13D	107.4
C52—C62—C12	118.64 (12)	C15"—C13"—H13D	107.4
C52—C62—C132	118.49 (12)	C14"—C13"—H13D	107.4
C12—C62—C132	122.87 (12)	C26—C16—C66	120.59 (12)
C22—C72—C92	109.55 (14)	C26—C16—N24	119.12 (12)
C22—C72—C82	113.42 (13)	C66—C16—N24	119.40 (12)
C92—C72—C82	109.76 (14)	C36—C26—C16	118.52 (13)
C22—C72—H72A	108.0	C36—C26—C76	119.33 (12)
C92—C72—H72A	108.0	C16—C26—C76	122.10 (12)
C82—C72—H72A	108.0	C46—C36—C26	122.45 (13)
C72—C82—H82A	109.5	C46—C36—H36A	118.8
C72—C82—H82B	109.5	C26—C36—H36A	118.8
H82A—C82—H82B	109.5	C36—C46—C56	117.70 (13)
C72—C82—H82C	109.5	C36—C46—C106	120.89 (13)
H82A—C82—H82C	109.5	C56—C46—C106	121.34 (13)
H82B—C82—H82C	109.5	C66—C56—C46	122.51 (13)
C72—C92—H92A	109.5	C66—C56—H56A	118.7
C72—C92—H92B	109.5	C46—C56—H56A	118.7
H92A—C92—H92B	109.5	C56—C66—C16	118.21 (13)
C72—C92—H92C	109.5	C56—C66—C136	119.15 (13)
H92A—C92—H92C	109.5	C16—C66—C136	122.61 (12)
H92B—C92—H92C	109.5	C26—C76—C96	110.42 (13)
C42—C102—C112	111.23 (12)	C26—C76—C86	112.48 (12)
C42—C102—C122	113.90 (12)	C96—C76—C86	110.03 (13)
C112—C102—C122	110.21 (13)	C26—C76—H76A	107.9
C42—C102—H10D	107.0	C96—C76—H76A	107.9
C112—C102—H10D	107.0	C86—C76—H76A	107.9
C122—C102—H10D	107.0	C76—C86—H86A	109.5
C102—C112—H11D	109.5	C76—C86—H86B	109.5
C102—C112—H11E	109.5	H86A—C86—H86B	109.5
H11D—C112—H11E	109.5	C76—C86—H86C	109.5
C102—C112—H11F	109.5	H86A—C86—H86C	109.5
H11D—C112—H11F	109.5	H86B—C86—H86C	109.5
H11E—C112—H11F	109.5	C76—C96—H96A	109.5
C102—C122—H12A	109.5	C76—C96—H96B	109.5
C102—C122—H12B	109.5	H96A—C96—H96B	109.5
H12A—C122—H12B	109.5	C76—C96—H96C	109.5
C102—C122—H12C	109.5	H96A—C96—H96C	109.5
H12A—C122—H12C	109.5	H96B—C96—H96C	109.5
H12B—C122—H12C	109.5	C116—C106—C46	112.75 (13)
C62—C132—C152	111.88 (12)	C116—C106—C126	111.38 (13)
C62—C132—C142	111.62 (11)	C46—C106—C126	110.30 (12)
C152—C132—C142	109.54 (12)	C116—C106—H10J	107.4
C62—C132—H13A	107.9	C46—C106—H10J	107.4
C152—C132—H13A	107.9	C126—C106—H10J	107.4
C142—C132—H13A	107.9	C106—C116—H11P	109.5
C132—C142—H14A	109.5	C106—C116—H11Q	109.5
C132—C142—H14B	109.5	H11P—C116—H11Q	109.5
H14A—C142—H14B	109.5	C106—C116—H11R	109.5
C132—C142—H14C	109.5	H11P—C116—H11R	109.5
H14A—C142—H14C	109.5	H11Q—C116—H11R	109.5
H14B—C142—H14C	109.5	C106—C126—H12J	109.5
C132—C152—H15A	109.5	C106—C126—H12K	109.5
C132—C152—H15B	109.5	H12J—C126—H12K	109.5
H15A—C152—H15B	109.5	C106—C126—H12L	109.5
C132—C152—H15C	109.5	H12J—C126—H12L	109.5
H15A—C152—H15C	109.5	H12K—C126—H12L	109.5
H15B—C152—H15C	109.5	C66—C136—C146	111.70 (12)
C23—C13—C63	120.28 (12)	C66—C136—C156	110.26 (12)
C23—C13—N21	118.92 (12)	C146—C136—C156	110.14 (13)
C63—C13—N21	120.54 (12)	C66—C136—H13E	108.2
C33—C23—C13	118.65 (14)	C146—C136—H13E	108.2
C33—C23—C73	118.84 (13)	C156—C136—H13E	108.2
C13—C23—C73	122.50 (13)	C136—C146—H14M	109.5
C43—C33—C23	122.26 (14)	C136—C146—H14N	109.5
C43—C33—H33A	118.9	H14M—C146—H14N	109.5
C23—C33—H33A	118.9	C136—C146—H14O	109.5
C53—C43—C33	117.40 (14)	H14M—C146—H14O	109.5
C53—C43—C10"	114.4 (7)	H14N—C146—H14O	109.5
C33—C43—C10"	128.2 (7)	C136—C156—H15M	109.5
C53—C43—C10'	131.8 (3)	C136—C156—H15N	109.5
C33—C43—C10'	109.5 (3)	H15M—C156—H15N	109.5
C53—C43—C103	117.8 (3)	C136—C156—H15O	109.5
C33—C43—C103	124.7 (3)	H15M—C156—H15O	109.5
C43—C53—C63	123.25 (15)	H15N—C156—H15O	109.5
C43—C53—H53A	118.4	C77—C27—C37	116.7 (5)
C63—C53—H53A	118.4	C77—C27—C17	122.6 (5)
C53—C63—C13	117.94 (14)	C37—C27—C17	120.6 (4)
C53—C63—C133	118.67 (13)	C47—C37—C27	121.0 (5)
C13—C63—C133	123.37 (13)	C47—C37—H37	119.5
C23—C73—C83	110.03 (14)	C27—C37—H37	119.5
C23—C73—C93	112.44 (14)	C37—C47—C57	121.7 (6)
C83—C73—C93	110.18 (13)	C37—C47—H47	119.2
C23—C73—H73A	108.0	C57—C47—H47	119.2
C83—C73—H73A	108.0	C67—C57—C47	118.3 (5)
C93—C73—H73A	108.0	C67—C57—H57	120.9
C73—C83—H83A	109.5	C47—C57—H57	120.9
C73—C83—H83B	109.5	C57—C67—C77	121.0 (5)
H83A—C83—H83B	109.5	C57—C67—H67	119.5
C73—C83—H83C	109.5	C77—C67—H67	119.5
H83A—C83—H83C	109.5	C67—C77—C27	121.1 (6)
H83B—C83—H83C	109.5	C67—C77—H77	119.5
C73—C93—H93A	109.5	C27—C77—H77	119.5
C73—C93—H93B	109.5	C37'—C27'—C77'	116.1 (7)
H93A—C93—H93B	109.5	C37'—C27'—C17'	121.9 (7)
C73—C93—H93C	109.5	C77'—C27'—C17'	122.1 (7)
H93A—C93—H93C	109.5	C47'—C37'—C27'	123.3 (8)
H93B—C93—H93C	109.5	C47'—C37'—H37'	118.4
C123—C103—C113	110.2 (8)	C27'—C37'—H37'	118.4
C123—C103—C43	114.3 (4)	C37'—C47'—C57'	119.6 (8)
C113—C103—C43	108.3 (7)	C37'—C47'—H47'	120.2
C123—C103—H10E	107.9	C57'—C47'—H47'	120.2
C113—C103—H10E	107.9	C67'—C57'—C47'	119.0 (9)
C43—C103—H10E	107.9	C67'—C57'—H57'	120.5
C11'—C10'—C43	115.3 (15)	C47'—C57'—H57'	120.5
C11'—C10'—C12'	109.0 (10)	C57'—C67'—C77'	121.5 (8)
C43—C10'—C12'	97.7 (4)	C57'—C67'—H67'	119.3
C11'—C10'—H10K	111.4	C77'—C67'—H67'	119.3
C43—C10'—H10K	111.4	C67'—C77'—C27'	120.6 (9)
C12'—C10'—H10K	111.4	C67'—C77'—H77'	119.7
C12"—C10"—C11"	110.6 (10)	C27'—C77'—H77'	119.7
C12"—C10"—C43	107.8 (8)	C78—C28—C38	121.2 (19)
C11"—C10"—C43	107.4 (9)	C78—C28—C18	119.4 (11)
C12"—C10"—H10L	110.3	C38—C28—C18	119.4 (11)
C11"—C10"—H10L	110.3	C28—C38—C48	119.7 (12)
C43—C10"—H10L	110.3	C28—C38—H38	120.1
C63—C133—C143	111.34 (14)	C48—C38—H38	120.1
C63—C133—C153	112.20 (13)	C58—C48—C38	120.7 (11)
C143—C133—C153	109.41 (14)	C58—C48—H48	119.6
C63—C133—H13B	107.9	C38—C48—H48	119.6
C143—C133—H13B	107.9	C48—C58—C68	119.2 (17)
C153—C133—H13B	107.9	C48—C58—H58	120.4
C133—C143—H14D	109.5	C68—C58—H58	120.4
C133—C143—H14E	109.5	C58—C68—C78	119.9 (10)
H14D—C143—H14E	109.5	C58—C68—H68	120.0
C133—C143—H14F	109.5	C78—C68—H68	120.0
H14D—C143—H14F	109.5	C28—C78—C68	119.3 (12)
H14E—C143—H14F	109.5	C28—C78—H78	120.4
C133—C153—H15D	109.5	C68—C78—H78	120.4
C133—C153—H15E	109.5	C29—C19—H19A	109.5
H15D—C153—H15E	109.5	C29—C19—H19B	109.5
C133—C153—H15F	109.5	H19A—C19—H19B	109.5
H15D—C153—H15F	109.5	C29—C19—H19C	109.5
H15E—C153—H15F	109.5	H19A—C19—H19C	109.5
C24—N14—C15	126.02 (11)	H19B—C19—H19C	109.5
C24—N14—Fe2	124.38 (9)	C79—C29—C39	119.6 (10)
C15—N14—Fe2	109.48 (8)	C79—C29—C19	118.6 (11)
C44—N24—C16	128.77 (11)	C39—C29—C19	121.8 (10)
C44—N24—Fe2	124.31 (9)	C49—C39—C29	119.4 (11)
C16—N24—Fe2	106.86 (8)	C49—C39—H39	120.3
C64—C14—C74	105.56 (16)	C29—C39—H39	120.3
C64—C14—C84	107.20 (16)	C39—C49—C59	121.4 (12)
C74—C14—C84	108.83 (17)	C39—C49—H49	119.3
C64—C14—C24	118.67 (16)	C59—C49—H49	119.3
C74—C14—C24	108.88 (15)	C69—C59—C49	118.4 (10)
C84—C14—C24	107.39 (15)	C69—C59—H59	120.8
C74'—C14'—C64'	106.6 (7)	C49—C59—H59	120.8
C74'—C14'—C84'	108.2 (7)	C79—C69—C59	120.1 (11)
C64'—C14'—C84'	106.3 (7)	C79—C69—H69	120.0
C74'—C14'—C24	113.8 (7)	C59—C69—H69	120.0
C64'—C14'—C24	116.0 (7)	C69—C79—C29	121.2 (12)
C84'—C14'—C24	105.5 (7)	C69—C79—H79	119.4
N14—C24—C34	121.24 (12)	C29—C79—H79	119.4
N14—C24—C14	124.57 (13)	C29'—C19'—H19D	109.5
C34—C24—C14	114.16 (13)	C29'—C19'—H19E	109.5
N14—C24—C14'	125.5 (4)	H19D—C19'—H19E	109.5
C34—C24—C14'	112.6 (4)	C29'—C19'—H19F	109.5
C24—C34—C44	132.91 (12)	H19D—C19'—H19F	109.5
C24—C34—H34A	113.5	H19E—C19'—H19F	109.5
C44—C34—H34A	113.5	C39'—C29'—C79'	121.5 (14)
N24—C44—C34	120.69 (12)	C39'—C29'—C19'	122.9 (15)
N24—C44—C54	125.52 (12)	C79'—C29'—C19'	115.6 (16)
C34—C44—C54	113.78 (11)	C29'—C39'—C49'	118.6 (16)
C114—C54—C94	106.60 (11)	C29'—C39'—H39'	120.7
C114—C54—C104	106.52 (11)	C49'—C39'—H39'	120.7
C94—C54—C104	110.11 (11)	C59'—C49'—C39'	119.8 (16)
C114—C54—C44	116.52 (11)	C59'—C49'—H49'	120.1
C94—C54—C44	109.35 (11)	C39'—C49'—H49'	120.1
C104—C54—C44	107.65 (11)	C49'—C59'—C69'	121.4 (16)
C14'—C64'—H64D	109.5	C49'—C59'—H59'	119.3
C14'—C64'—H64E	109.5	C69'—C59'—H59'	119.3
H64D—C64'—H64E	109.5	C79'—C69'—C59'	118.6 (16)
C14'—C64'—H64F	109.5	C79'—C69'—H69'	120.7
H64D—C64'—H64F	109.5	C59'—C69'—H69'	120.7
H64E—C64'—H64F	109.5	C69'—C79'—C29'	120.1 (16)
C14'—C74'—H74D	110.8	C69'—C79'—H79'	120.0
C14'—C74'—H74E	106.1	C29'—C79'—H79'	120.0
H74D—C74'—H74E	109.5
O2—C1—O1—Fe1	0.18 (14)	C64—C14—C24—N14	−3.3 (2)
O3—C1—O1—Fe1	−179.88 (14)	C74—C14—C24—N14	−123.97 (17)
N11—Fe1—O1—C1	−117.55 (9)	C84—C14—C24—N14	118.35 (17)
N21—Fe1—O1—C1	107.64 (9)	C64—C14—C24—C34	174.74 (16)
O2—Fe1—O1—C1	−0.11 (8)	C74—C14—C24—C34	54.06 (19)
O1—C1—O2—Fe1	−0.19 (14)	C84—C14—C24—C34	−63.63 (18)
O3—C1—O2—Fe1	179.87 (13)	C64—C14—C24—C14'	−102 (2)
N11—Fe1—O2—C1	116.35 (9)	C74—C14—C24—C14'	137 (2)
N21—Fe1—O2—C1	−118.48 (9)	C84—C14—C24—C14'	20 (2)
O1—Fe1—O2—C1	0.11 (8)	C74'—C14'—C24—N14	51.4 (8)
O1—C1—O3—Fe2	3.2 (3)	C64'—C14'—C24—N14	175.6 (5)
O2—C1—O3—Fe2	−176.89 (12)	C84'—C14'—C24—N14	−67.1 (7)
N14—Fe2—O3—C1	1.4 (3)	C74'—C14'—C24—C34	−119.1 (7)
N24—Fe2—O3—C1	−179.72 (16)	C64'—C14'—C24—C34	5.1 (8)
N21—Fe1—N11—C21	−0.46 (11)	C84'—C14'—C24—C34	122.4 (6)
O2—Fe1—N11—C21	133.06 (10)	C74'—C14'—C24—C14	140 (3)
O1—Fe1—N11—C21	−145.00 (10)	C64'—C14'—C24—C14	−96 (3)
C1—Fe1—N11—C21	174.37 (10)	C84'—C14'—C24—C14	21 (2)
N21—Fe1—N11—C12	171.26 (8)	N14—C24—C34—C44	0.4 (2)
O2—Fe1—N11—C12	−55.22 (10)	C14—C24—C34—C44	−177.65 (15)
O1—Fe1—N11—C12	26.73 (10)	C14'—C24—C34—C44	171.4 (4)
C1—Fe1—N11—C12	−13.90 (11)	C16—N24—C44—C34	178.40 (13)
N11—Fe1—N21—C41	0.69 (11)	Fe2—N24—C44—C34	1.75 (18)
O2—Fe1—N21—C41	−137.52 (10)	C16—N24—C44—C54	−2.6 (2)
O1—Fe1—N21—C41	144.91 (10)	Fe2—N24—C44—C54	−179.24 (9)
C1—Fe1—N21—C41	−174.52 (10)	C24—C34—C44—N24	−3.1 (2)
N11—Fe1—N21—C13	−170.38 (9)	C24—C34—C44—C54	177.76 (14)
O2—Fe1—N21—C13	51.41 (10)	N24—C44—C54—C114	3.69 (19)
O1—Fe1—N21—C13	−26.16 (10)	C34—C44—C54—C114	−177.25 (12)
C1—Fe1—N21—C13	14.41 (11)	N24—C44—C54—C94	124.59 (14)
C12—N11—C21—C31	−171.19 (12)	C34—C44—C54—C94	−56.34 (15)
Fe1—N11—C21—C31	−1.20 (18)	N24—C44—C54—C104	−115.80 (14)
C12—N11—C21—C11	10.0 (2)	C34—C44—C54—C104	63.27 (15)
Fe1—N11—C21—C11	−179.97 (10)	C24—N14—C15—C25	97.47 (17)
C61—C11—C21—N11	0.2 (2)	Fe2—N14—C15—C25	−86.26 (13)
C81—C11—C21—N11	120.07 (15)	C24—N14—C15—C65	−88.49 (17)
C71—C11—C21—N11	−121.56 (15)	Fe2—N14—C15—C65	87.77 (13)
C61—C11—C21—C31	−178.68 (13)	C65—C15—C25—C35	5.3 (2)
C81—C11—C21—C31	−58.79 (16)	N14—C15—C25—C35	179.31 (13)
C71—C11—C21—C31	59.58 (17)	C65—C15—C25—C75	−174.06 (14)
N11—C21—C31—C41	3.6 (2)	N14—C15—C25—C75	−0.1 (2)
C11—C21—C31—C41	−177.51 (14)	C15—C25—C35—C45	−1.7 (2)
C13—N21—C41—C31	170.36 (12)	C75—C25—C35—C45	177.72 (15)
Fe1—N21—C41—C31	0.76 (17)	C25—C35—C45—C55	−2.6 (2)
C13—N21—C41—C51	−12.1 (2)	C25—C35—C45—C105	176.89 (14)
Fe1—N21—C41—C51	178.35 (10)	C35—C45—C55—C65	3.4 (2)
C21—C31—C41—N21	−3.3 (2)	C105—C45—C55—C65	−176.12 (14)
C21—C31—C41—C51	178.80 (14)	C45—C55—C65—C15	0.1 (2)
N21—C41—C51—C111	6.5 (2)	C45—C55—C65—C13"	−173.2 (4)
C31—C41—C51—C111	−175.71 (13)	C45—C55—C65—C135	172.1 (4)
N21—C41—C51—C101	−113.53 (15)	C25—C15—C65—C55	−4.6 (2)
C31—C41—C51—C101	64.23 (15)	N14—C15—C65—C55	−178.59 (13)
N21—C41—C51—C91	127.75 (14)	C25—C15—C65—C13"	168.8 (4)
C31—C41—C51—C91	−54.50 (15)	N14—C15—C65—C13"	−5.2 (4)
C21—N11—C12—C62	−109.89 (16)	C25—C15—C65—C135	−176.3 (4)
Fe1—N11—C12—C62	78.90 (13)	N14—C15—C65—C135	9.7 (4)
C21—N11—C12—C22	78.69 (18)	C35—C25—C75—C95	55.7 (2)
Fe1—N11—C12—C22	−92.52 (13)	C15—C25—C75—C95	−124.91 (16)
C62—C12—C22—C32	2.2 (2)	C35—C25—C75—C85	−67.99 (19)
N11—C12—C22—C32	173.59 (12)	C15—C25—C75—C85	111.38 (16)
C62—C12—C22—C72	−174.68 (13)	C35—C45—C105—C125	6.5 (2)
N11—C12—C22—C72	−3.3 (2)	C55—C45—C105—C125	−174.00 (13)
C12—C22—C32—C42	−0.5 (2)	C35—C45—C105—C115	−117.65 (16)
C72—C22—C32—C42	176.41 (14)	C55—C45—C105—C115	61.83 (18)
C22—C32—C42—C52	−0.4 (2)	C55—C65—C135—C155	84.9 (6)
C22—C32—C42—C102	179.66 (13)	C15—C65—C135—C155	−103.4 (7)
C32—C42—C52—C62	−0.3 (2)	C55—C65—C135—C145	−40.0 (9)
C102—C42—C52—C62	179.60 (13)	C15—C65—C135—C145	131.7 (7)
C42—C52—C62—C12	2.0 (2)	C55—C65—C13"—C15"	91.0 (6)
C42—C52—C62—C132	−177.54 (13)	C15—C65—C13"—C15"	−82.2 (7)
C22—C12—C62—C52	−2.9 (2)	C55—C65—C13"—C14"	−33.6 (7)
N11—C12—C62—C52	−174.23 (12)	C15—C65—C13"—C14"	153.2 (5)
C22—C12—C62—C132	176.63 (13)	C44—N24—C16—C26	−93.88 (17)
N11—C12—C62—C132	5.26 (19)	Fe2—N24—C16—C26	83.23 (12)
C32—C22—C72—C92	−73.18 (18)	C44—N24—C16—C66	96.82 (17)
C12—C22—C72—C92	103.64 (17)	Fe2—N24—C16—C66	−86.06 (12)
C32—C22—C72—C82	49.8 (2)	C66—C16—C26—C36	−0.70 (19)
C12—C22—C72—C82	−133.34 (15)	N24—C16—C26—C36	−169.87 (12)
C52—C42—C102—C112	89.81 (17)	C66—C16—C26—C76	176.84 (12)
C32—C42—C102—C112	−90.24 (17)	N24—C16—C26—C76	7.68 (19)
C52—C42—C102—C122	−35.5 (2)	C16—C26—C36—C46	0.9 (2)
C32—C42—C102—C122	144.48 (14)	C76—C26—C36—C46	−176.75 (13)
C52—C62—C132—C152	49.58 (17)	C26—C36—C46—C56	−1.0 (2)
C12—C62—C132—C152	−129.91 (14)	C26—C36—C46—C106	176.03 (13)
C52—C62—C132—C142	−73.57 (16)	C36—C46—C56—C66	1.0 (2)
C12—C62—C132—C142	106.94 (15)	C106—C46—C56—C66	−176.02 (13)
C41—N21—C13—C23	−82.70 (17)	C46—C56—C66—C16	−0.9 (2)
Fe1—N21—C13—C23	88.03 (13)	C46—C56—C66—C136	177.18 (13)
C41—N21—C13—C63	103.10 (16)	C26—C16—C66—C56	0.69 (19)
Fe1—N21—C13—C63	−86.17 (13)	N24—C16—C66—C56	169.83 (12)
C63—C13—C23—C33	−4.4 (2)	C26—C16—C66—C136	−177.26 (12)
N21—C13—C23—C33	−178.60 (13)	N24—C16—C66—C136	−8.12 (19)
C63—C13—C23—C73	174.76 (14)	C36—C26—C76—C96	71.07 (17)
N21—C13—C23—C73	0.6 (2)	C16—C26—C76—C96	−106.46 (16)
C13—C23—C33—C43	0.5 (2)	C36—C26—C76—C86	−52.28 (18)
C73—C23—C33—C43	−178.66 (15)	C16—C26—C76—C86	130.20 (14)
C23—C33—C43—C53	2.7 (3)	C36—C46—C106—C116	126.46 (15)
C23—C33—C43—C10"	−175.4 (6)	C56—C46—C106—C116	−56.62 (19)
C23—C33—C43—C10'	171.5 (3)	C36—C46—C106—C126	−108.33 (16)
C23—C33—C43—C103	−173.7 (3)	C56—C46—C106—C126	68.59 (18)
C33—C43—C53—C63	−2.3 (3)	C56—C66—C136—C146	57.78 (17)
C10"—C43—C53—C63	176.1 (5)	C16—C66—C136—C146	−124.28 (14)
C10'—C43—C53—C63	−168.0 (3)	C56—C66—C136—C156	−65.04 (17)
C103—C43—C53—C63	174.4 (3)	C16—C66—C136—C156	112.90 (15)
C43—C53—C63—C13	−1.5 (2)	C77—C27—C37—C47	−2.3 (6)
C43—C53—C63—C133	179.90 (16)	C17—C27—C37—C47	−179.9 (4)
C23—C13—C63—C53	4.8 (2)	C27—C37—C47—C57	−0.6 (7)
N21—C13—C63—C53	178.95 (13)	C37—C47—C57—C67	0.2 (7)
C23—C13—C63—C133	−176.59 (14)	C47—C57—C67—C77	3.2 (7)
N21—C13—C63—C133	−2.5 (2)	C57—C67—C77—C27	−6.3 (9)
C33—C23—C73—C83	65.21 (18)	C37—C27—C77—C67	5.7 (8)
C13—C23—C73—C83	−113.94 (16)	C17—C27—C77—C67	−176.8 (5)
C33—C23—C73—C93	−58.00 (19)	C77'—C27'—C37'—C47'	0.3 (4)
C13—C23—C73—C93	122.84 (15)	C17'—C27'—C37'—C47'	−179.7 (3)
C53—C43—C103—C123	−155.7 (4)	C27'—C37'—C47'—C57'	−0.8 (6)
C33—C43—C103—C123	20.7 (6)	C37'—C47'—C57'—C67'	1.0 (7)
C53—C43—C103—C113	81.0 (9)	C47'—C57'—C67'—C77'	−0.7 (8)
C33—C43—C103—C113	−102.6 (9)	C57'—C67'—C77'—C27'	0.2 (7)
C53—C43—C10'—C11'	35.4 (13)	C37'—C27'—C77'—C67'	0.0 (5)
C33—C43—C10'—C11'	−131.2 (12)	C17'—C27'—C77'—C67'	−180.0 (3)
C53—C43—C10'—C12'	−79.9 (6)	C78—C28—C38—C48	0.2 (4)
C33—C43—C10'—C12'	113.6 (5)	C18—C28—C38—C48	−179.9 (2)
C53—C43—C10"—C12"	−131.4 (9)	C28—C38—C48—C58	−0.4 (5)
C33—C43—C10"—C12"	46.8 (12)	C38—C48—C58—C68	0.7 (6)
C53—C43—C10"—C11"	109.3 (9)	C48—C58—C68—C78	−0.9 (6)
C33—C43—C10"—C11"	−72.5 (10)	C38—C28—C78—C68	−0.4 (5)
C53—C63—C133—C143	−57.51 (19)	C18—C28—C78—C68	179.7 (3)
C13—C63—C133—C143	123.91 (15)	C58—C68—C78—C28	0.7 (5)
C53—C63—C133—C153	65.5 (2)	C79—C29—C39—C49	−0.1 (4)
C13—C63—C133—C153	−113.08 (16)	C19—C29—C39—C49	180.0 (3)
O3—Fe2—N14—C24	175.61 (12)	C29—C39—C49—C59	0.3 (6)
N24—Fe2—N14—C24	−3.30 (12)	C39—C49—C59—C69	−0.5 (8)
O3—Fe2—N14—C15	−0.73 (17)	C49—C59—C69—C79	0.6 (8)
N24—Fe2—N14—C15	−179.64 (9)	C59—C69—C79—C29	−0.5 (8)
O3—Fe2—N24—C44	−178.60 (11)	C39—C29—C79—C69	0.2 (6)
N14—Fe2—N24—C44	0.85 (11)	C19—C29—C79—C69	−179.9 (4)
O3—Fe2—N24—C16	4.12 (10)	C79'—C29'—C39'—C49'	0.0 (4)
N14—Fe2—N24—C16	−176.43 (8)	C19'—C29'—C39'—C49'	−180.0 (3)
C15—N14—C24—C34	178.85 (12)	C29'—C39'—C49'—C59'	0.0 (6)
Fe2—N14—C24—C34	3.11 (18)	C39'—C49'—C59'—C69'	−0.1 (8)
C15—N14—C24—C14	−3.3 (2)	C49'—C59'—C69'—C79'	0.2 (9)
Fe2—N14—C24—C14	−178.99 (11)	C59'—C69'—C79'—C29'	−0.2 (8)
C15—N14—C24—C14'	9.1 (5)	C39'—C29'—C79'—C69'	0.1 (6)
Fe2—N14—C24—C14'	−166.6 (5)	C19'—C29'—C79'—C69'	−179.9 (4)