Syntheses and solid-state structures of two cofacial (bis­)dipyrrin dichromium com­plexes in different charge states

The dichromium Pacman com­plex (^tBudmx)Cr₂Cl₂·C₄H₁₀O (1) [(^tBudmx)H₂ is a di­­methyl­xanthene-bridged cofacial (bis­)dipyrrin, C₄₉H₅₈N₄O] was synthesized by salt metathesis using anhydrous CrCl₂ and previously reported (^tBudmx)K₂. Treat­ment of 1 with two equivalents of the reductant potassium graphite afforded K₂(^tBudmx)Cr₂Cl₂(thf)₃·0.5C₄H₁₀O·0.5C₄H₈O (thf is tetra­hydro­furan, C₄H₈O) (2), with both potassium ions inter­calated between the pyrrolic subunits. Comparison of the solid-state structures for 1 and 2 reveals minimal changes in the primary coordination sphere of each Cr ion, with notable elongation of the dipyrrin C—C and C—N bonds upon reduction, consistent with com­putational support for a ligand-based reduction.

Computing details

For both structures, data collection: APEX2 (Bruker, 2015); cell refinement: SAINT (Bruker, 2015); data reduction: SAINT (Bruker, 2015); program(s) used to solve structure: SHELXT2018 (Sheldrick, 2015a); program(s) used to refine structure: OLEX2 (Dolomanov et al., 2009) and SHELXL2018 (Sheldrick, 2015b); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2020).

Di-µ-chlorido-{µ-2,2'-[(10,10-dimethyl-9H-xanthene-1,8-diyl)bis(5-tert-butyl-2H-pyrrol-2-ylidene)bis(methanylylidene)]bis(5-tert-butyl-1H-pyrrol-1-ide)-κ⁴N,N':N'',N'''}dichromium(II) diethyl ether monosolvate (1)

Crystal data

[Cr2(C49H56N4O)Cl2]·C4H10O	F(000) = 2040
Mr = 965.99	Dx = 1.210 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 14.917 (3) Å	Cell parameters from 9983 reflections
b = 13.299 (2) Å	θ = 2.3–24.8°
c = 27.554 (4) Å	µ = 0.55 mm^−1
β = 104.074 (5)°	T = 100 K
V = 5302.1 (16) Å^3	Block, red
Z = 4	0.15 × 0.12 × 0.12 mm

Data collection

Bruker APEXII CCD diffractometer	7894 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.045
ω and phi scans	θmax = 25.0°, θmin = 1.4°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −17→17
Tmin = 0.693, Tmax = 0.745	k = −15→15
76692 measured reflections	l = −32→32
9361 independent reflections

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.047	H-atom parameters constrained
wR(F^2) = 0.133	w = 1/[σ^2(Fo^2) + (0.0626P)^2 + 9.8138P] where P = (Fo^2 + 2Fc^2)/3
S = 1.06	(Δ/σ)max = 0.001
9361 reflections	Δρmax = 1.58 e Å^−3
672 parameters	Δρmin = −0.41 e Å^−3
273 restraints

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. All structures were collected on a Bruker three-circle platform goniometer equipped with an Apex II CCD and an Oxford cryostream-cooling device fixed at 100 K. Radiation was from graphite-monochromated fine focus Mo Kα (λ = 0.71073 Å) sealed tube source.. Crystals did not show significant decay during the data collection. Data was collected as a series of φ and/or ω scans. Data integration down to 0.84 Å resolution was carried out using SAINT V8.37 A with reflection spot size optimization. Absorption corrections were made with the program SADABS. Space group assignments were determined by examination of systematic absences, E-statistics, and successive refinement of the structures. The structure was solved by the Intrinsic Phasing methods and refined by least squares methods again F2 using SHELXT-2014 (Sheldrick, 2015a) and SHELXL2014 (Sheldrick, 2015b) with the OLEX 2 (Dolomanov, et al., 2009) interface. The program PLATON (Spek, 2020) was employed to confirm the absence of higher symmetry space groups.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cr1	0.51917 (3)	0.60096 (3)	0.14550 (2)	0.01489 (13)
Cr2	0.61872 (3)	0.60347 (3)	0.26415 (2)	0.01589 (13)
Cl1	0.67608 (5)	0.59208 (5)	0.19110 (3)	0.01967 (17)
Cl2	0.49567 (5)	0.70298 (5)	0.21317 (3)	0.01908 (16)
O1	0.41851 (13)	0.30902 (14)	0.22425 (7)	0.0157 (4)
N1	0.54301 (15)	0.48892 (18)	0.10036 (8)	0.0153 (5)
N2	0.38300 (16)	0.57190 (17)	0.11841 (8)	0.0152 (5)
N3	0.69948 (16)	0.48689 (18)	0.29558 (9)	0.0173 (5)
N4	0.55305 (16)	0.58442 (18)	0.31952 (9)	0.0186 (5)
C1	0.42417 (19)	0.3913 (2)	0.12835 (10)	0.0154 (6)
C2	0.50690 (19)	0.3971 (2)	0.11242 (10)	0.0164 (6)
C3	0.5583 (2)	0.3178 (2)	0.09775 (11)	0.0204 (6)
H3	0.550063	0.247892	0.102186	0.024*
C4	0.6220 (2)	0.3613 (2)	0.07601 (11)	0.0223 (6)
H4	0.665470	0.326876	0.061968	0.027*
C5	0.61120 (19)	0.4670 (2)	0.07823 (10)	0.0176 (6)
C6	0.36288 (19)	0.4718 (2)	0.12855 (10)	0.0156 (6)
C7	0.2672 (2)	0.4646 (2)	0.12633 (11)	0.0198 (6)
H7	0.235018	0.406419	0.132885	0.024*
C8	0.2300 (2)	0.5577 (2)	0.11288 (11)	0.0221 (6)
H8	0.166624	0.575484	0.107511	0.027*
C9	0.30287 (19)	0.6228 (2)	0.10840 (10)	0.0171 (6)
C10	0.6640 (2)	0.5455 (2)	0.05589 (11)	0.0204 (6)
C11	0.6540 (2)	0.5183 (3)	0.00072 (11)	0.0284 (7)
H11A	0.679314	0.450955	−0.001591	0.043*
H11B	0.687755	0.567326	−0.014587	0.043*
H11C	0.588459	0.519225	−0.016915	0.043*
C12	0.7669 (2)	0.5431 (3)	0.08316 (12)	0.0292 (7)
H12A	0.773887	0.560782	0.118415	0.044*
H12B	0.800779	0.591584	0.067616	0.044*
H12C	0.791551	0.475462	0.080847	0.044*
C13	0.6253 (2)	0.6514 (2)	0.05832 (12)	0.0284 (7)
H13A	0.559564	0.652235	0.041193	0.043*
H13B	0.658800	0.698841	0.041941	0.043*
H13C	0.632910	0.670958	0.093371	0.043*
C14	0.2930 (2)	0.7319 (2)	0.09183 (11)	0.0216 (6)
C15	0.2147 (2)	0.7386 (3)	0.04366 (13)	0.0325 (8)
H15A	0.229809	0.695888	0.017756	0.049*
H15B	0.207999	0.808419	0.031982	0.049*
H15C	0.156694	0.715728	0.050645	0.049*
C16	0.3814 (2)	0.7724 (2)	0.08016 (13)	0.0286 (7)
H16A	0.431388	0.772261	0.110728	0.043*
H16B	0.370795	0.841256	0.067369	0.043*
H16C	0.398610	0.729692	0.054888	0.043*
C17	0.2665 (3)	0.7971 (2)	0.13209 (13)	0.0328 (8)
H17A	0.209566	0.771035	0.139212	0.049*
H17B	0.256517	0.866540	0.120082	0.049*
H17C	0.316383	0.795399	0.162690	0.049*
C18	0.38826 (19)	0.2885 (2)	0.13580 (10)	0.0160 (6)
C19	0.3541 (2)	0.2300 (2)	0.09325 (11)	0.0215 (6)
H19	0.357905	0.254584	0.061426	0.026*
C20	0.3148 (2)	0.1365 (2)	0.09672 (11)	0.0227 (6)
H20	0.294114	0.096284	0.067669	0.027*
C21	0.3060 (2)	0.1024 (2)	0.14266 (11)	0.0206 (6)
H21	0.277770	0.039048	0.144799	0.025*
C22	0.33798 (18)	0.1594 (2)	0.18613 (10)	0.0163 (6)
C23	0.38147 (18)	0.2506 (2)	0.18217 (10)	0.0153 (6)
C24	0.32189 (19)	0.1284 (2)	0.23642 (11)	0.0181 (6)
C25	0.2345 (2)	0.1831 (2)	0.24381 (12)	0.0245 (7)
H25A	0.223722	0.164566	0.276350	0.037*
H25B	0.181023	0.163287	0.217156	0.037*
H25C	0.243496	0.255945	0.242617	0.037*
C26	0.3070 (2)	0.0145 (2)	0.24004 (12)	0.0264 (7)
H26A	0.361221	−0.021369	0.234718	0.040*
H26B	0.252130	−0.005772	0.214445	0.040*
H26C	0.298312	−0.001813	0.273264	0.040*
C27	0.40376 (18)	0.1665 (2)	0.27703 (11)	0.0163 (6)
C28	0.44427 (18)	0.2581 (2)	0.26976 (10)	0.0145 (6)
C29	0.51197 (19)	0.3026 (2)	0.30817 (10)	0.0167 (6)
C30	0.5404 (2)	0.2510 (2)	0.35323 (11)	0.0221 (6)
H30	0.585978	0.280160	0.379698	0.027*
C31	0.5038 (2)	0.1581 (2)	0.36028 (11)	0.0246 (7)
H31	0.524988	0.123257	0.391035	0.030*
C32	0.4361 (2)	0.1163 (2)	0.32227 (11)	0.0206 (6)
H32	0.411211	0.052382	0.327089	0.025*
C33	0.55615 (19)	0.4025 (2)	0.30393 (10)	0.0167 (6)
C34	0.51468 (19)	0.4882 (2)	0.31904 (10)	0.0178 (6)
C35	0.4453 (2)	0.4920 (2)	0.34648 (11)	0.0219 (6)
H35	0.406330	0.438356	0.351295	0.026*
C36	0.4454 (2)	0.5884 (2)	0.36469 (11)	0.0248 (7)
H36	0.407321	0.613219	0.385083	0.030*
C37	0.5127 (2)	0.6439 (2)	0.34749 (11)	0.0223 (7)
C38	0.64462 (19)	0.4003 (2)	0.29546 (10)	0.0180 (6)
C39	0.7009 (2)	0.3143 (2)	0.29503 (11)	0.0228 (6)
H39	0.681589	0.246096	0.293662	0.027*
C40	0.7886 (2)	0.3486 (2)	0.29696 (12)	0.0255 (7)
H40	0.841653	0.308426	0.297853	0.031*
C41	0.7853 (2)	0.4553 (2)	0.29737 (11)	0.0211 (6)
C42	0.5424 (2)	0.7516 (3)	0.36021 (12)	0.0305 (8)
C43	0.5729 (3)	0.7608 (4)	0.41759 (15)	0.0553 (12)
H43A	0.521989	0.740199	0.432150	0.083*
H43B	0.589533	0.830772	0.426751	0.083*
H43C	0.626477	0.717377	0.430370	0.083*
C44	0.4625 (3)	0.8232 (3)	0.3391 (2)	0.0604 (14)
H44A	0.445053	0.817663	0.302515	0.091*
H44B	0.481702	0.892337	0.348618	0.091*
H44C	0.409495	0.805518	0.352517	0.091*
C45	0.6256 (3)	0.7818 (3)	0.33961 (13)	0.0350 (8)
H45A	0.676817	0.735126	0.352204	0.052*
H45B	0.644977	0.850249	0.350545	0.052*
H45C	0.608031	0.779293	0.302973	0.052*
C46	0.8680 (2)	0.5242 (2)	0.30163 (12)	0.0245 (7)
C47	0.9436 (2)	0.4911 (3)	0.34758 (15)	0.0429 (10)
H47A	0.920116	0.496657	0.377727	0.064*
H47B	0.997980	0.534364	0.350962	0.064*
H47C	0.960934	0.421126	0.343290	0.064*
C48	0.8440 (2)	0.6339 (2)	0.30869 (12)	0.0267 (7)
H48A	0.796692	0.656547	0.279477	0.040*
H48B	0.899525	0.675471	0.312350	0.040*
H48C	0.820398	0.640233	0.338778	0.040*
C49	0.9069 (2)	0.5127 (3)	0.25511 (13)	0.0299 (7)
H49A	0.924126	0.442443	0.251778	0.045*
H49B	0.961477	0.555641	0.258609	0.045*
H49C	0.859713	0.532872	0.225292	0.045*
C1S	0.4850 (13)	0.9982 (16)	0.4967 (12)	0.090 (4)	0.48
H1SA	0.455278	1.057225	0.478306	0.136*	0.48
H1SB	0.543378	0.984646	0.487526	0.136*	0.48
H1SC	0.497268	1.010986	0.532706	0.136*	0.48
C2S	0.4261 (7)	0.9148 (9)	0.4842 (4)	0.078 (3)	0.48
H2SA	0.412335	0.904422	0.447540	0.093*	0.48
H2SB	0.367070	0.929728	0.493067	0.093*	0.48
O1S	0.4628 (5)	0.8250 (6)	0.5082 (2)	0.083 (2)	0.48
C3S	0.3961 (6)	0.7515 (9)	0.4956 (3)	0.074 (2)	0.48
H3SA	0.371282	0.751483	0.458835	0.088*	0.48
H3SB	0.344597	0.767663	0.511120	0.088*	0.48
C4S	0.4292 (8)	0.6567 (10)	0.5107 (4)	0.085 (2)	0.48
H4SA	0.450299	0.624224	0.483534	0.127*	0.48
H4SB	0.379819	0.616444	0.518854	0.127*	0.48
H4SC	0.480969	0.662114	0.540294	0.127*	0.48
C5S	0.3281 (7)	0.6525 (12)	0.5310 (4)	0.053 (2)	0.32
H5SA	0.268629	0.674568	0.509905	0.080*	0.32
H5SB	0.375369	0.655638	0.511775	0.080*	0.32
H5SC	0.345869	0.696568	0.560255	0.080*	0.32
C6S	0.3196 (9)	0.5541 (14)	0.5470 (6)	0.071 (2)	0.32
H6SA	0.376514	0.533979	0.571907	0.085*	0.32
H6SB	0.310033	0.507239	0.518282	0.085*	0.32
O2S	0.2420 (6)	0.5509 (10)	0.5689 (4)	0.063 (2)	0.32
C7S	0.1546 (9)	0.5200 (14)	0.5360 (7)	0.052 (3)	0.32
H7SA	0.169947	0.497087	0.504811	0.063*	0.32
H7SB	0.135615	0.459164	0.551632	0.063*	0.32
C8S	0.0722 (9)	0.5793 (12)	0.5202 (4)	0.058 (3)	0.32
H8SA	0.074312	0.617909	0.490165	0.086*	0.32
H8SB	0.068052	0.625569	0.547215	0.086*	0.32
H8SC	0.018052	0.535039	0.512785	0.086*	0.32
C9S	0.4057 (14)	0.548 (3)	0.5135 (7)	0.075 (3)	0.2
H9SA	0.369431	0.557957	0.479088	0.112*	0.2
H9SB	0.430971	0.479247	0.516948	0.112*	0.2
H9SC	0.456521	0.596327	0.521188	0.112*	0.2
C10S	0.3499 (14)	0.560 (2)	0.5451 (9)	0.066 (3)	0.2
H10A	0.304343	0.610745	0.527945	0.079*	0.2
H10B	0.389559	0.595921	0.573961	0.079*	0.2
O3S	0.2956 (9)	0.4925 (13)	0.5679 (5)	0.061 (3)	0.2
C11S	0.2116 (12)	0.549 (2)	0.5555 (9)	0.058 (3)	0.2
H11D	0.202454	0.576252	0.587388	0.070*	0.2
H11E	0.223141	0.607362	0.535597	0.070*	0.2
C12S	0.1286 (13)	0.509 (3)	0.5306 (11)	0.048 (3)	0.2
H12D	0.111560	0.535609	0.496385	0.072*	0.2
H12E	0.081161	0.527689	0.548115	0.072*	0.2
H12F	0.133391	0.435669	0.529525	0.072*	0.2

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cr1	0.0136 (2)	0.0162 (2)	0.0145 (2)	−0.00211 (17)	0.00246 (18)	−0.00191 (17)
Cr2	0.0150 (2)	0.0177 (2)	0.0151 (2)	−0.00109 (18)	0.00370 (18)	−0.00198 (18)
Cl1	0.0157 (3)	0.0264 (4)	0.0165 (3)	−0.0017 (3)	0.0033 (3)	−0.0032 (3)
Cl2	0.0176 (3)	0.0199 (3)	0.0188 (3)	0.0008 (3)	0.0027 (3)	−0.0039 (3)
O1	0.0180 (10)	0.0162 (10)	0.0125 (9)	−0.0018 (8)	0.0028 (8)	−0.0001 (8)
N1	0.0133 (11)	0.0202 (12)	0.0118 (11)	−0.0012 (9)	0.0016 (9)	0.0003 (9)
N2	0.0170 (12)	0.0149 (12)	0.0136 (12)	−0.0009 (9)	0.0036 (9)	−0.0013 (9)
N3	0.0137 (12)	0.0217 (13)	0.0167 (12)	−0.0022 (10)	0.0041 (9)	−0.0004 (10)
N4	0.0174 (12)	0.0211 (13)	0.0164 (12)	0.0004 (10)	0.0025 (10)	−0.0034 (10)
C1	0.0174 (14)	0.0190 (14)	0.0092 (13)	−0.0021 (11)	0.0019 (11)	0.0001 (11)
C2	0.0173 (14)	0.0182 (14)	0.0121 (13)	−0.0002 (11)	0.0006 (11)	0.0012 (11)
C3	0.0214 (15)	0.0185 (15)	0.0208 (15)	0.0042 (12)	0.0041 (12)	0.0021 (12)
C4	0.0196 (15)	0.0262 (16)	0.0220 (15)	0.0076 (13)	0.0067 (12)	0.0016 (13)
C5	0.0136 (14)	0.0271 (16)	0.0110 (13)	0.0012 (12)	0.0010 (11)	0.0004 (11)
C6	0.0189 (14)	0.0162 (14)	0.0119 (13)	−0.0037 (11)	0.0039 (11)	−0.0017 (11)
C7	0.0192 (15)	0.0212 (15)	0.0222 (15)	−0.0058 (12)	0.0109 (12)	−0.0032 (12)
C8	0.0147 (14)	0.0251 (16)	0.0282 (16)	0.0024 (12)	0.0085 (12)	−0.0034 (13)
C9	0.0185 (14)	0.0192 (15)	0.0138 (14)	0.0027 (11)	0.0042 (11)	−0.0038 (11)
C10	0.0177 (15)	0.0277 (16)	0.0162 (14)	−0.0013 (12)	0.0050 (11)	0.0030 (12)
C11	0.0248 (17)	0.043 (2)	0.0181 (16)	−0.0030 (15)	0.0063 (13)	0.0016 (14)
C12	0.0167 (15)	0.048 (2)	0.0232 (16)	−0.0045 (14)	0.0052 (13)	0.0052 (15)
C13	0.0308 (18)	0.0271 (17)	0.0299 (18)	−0.0029 (14)	0.0124 (14)	0.0053 (14)
C14	0.0223 (15)	0.0181 (15)	0.0228 (16)	0.0045 (12)	0.0023 (12)	0.0017 (12)
C15	0.0318 (18)	0.0257 (17)	0.0335 (19)	0.0054 (14)	−0.0043 (15)	0.0024 (14)
C16	0.0300 (18)	0.0220 (16)	0.0320 (18)	−0.0016 (13)	0.0039 (14)	0.0071 (14)
C17	0.044 (2)	0.0196 (16)	0.0362 (19)	0.0094 (15)	0.0113 (16)	−0.0020 (14)
C18	0.0150 (13)	0.0155 (14)	0.0173 (14)	0.0032 (11)	0.0036 (11)	0.0003 (11)
C19	0.0255 (16)	0.0225 (15)	0.0155 (14)	−0.0014 (13)	0.0030 (12)	−0.0001 (12)
C20	0.0256 (16)	0.0209 (15)	0.0201 (15)	−0.0030 (13)	0.0029 (12)	−0.0057 (12)
C21	0.0191 (15)	0.0166 (14)	0.0260 (16)	−0.0027 (12)	0.0051 (12)	−0.0011 (12)
C22	0.0131 (13)	0.0160 (14)	0.0203 (15)	0.0010 (11)	0.0048 (11)	0.0020 (11)
C23	0.0126 (13)	0.0171 (14)	0.0167 (14)	0.0025 (11)	0.0046 (11)	−0.0021 (11)
C24	0.0152 (14)	0.0186 (14)	0.0210 (15)	−0.0023 (11)	0.0050 (11)	0.0009 (12)
C25	0.0142 (15)	0.0345 (18)	0.0248 (16)	−0.0022 (13)	0.0050 (12)	−0.0022 (13)
C26	0.0303 (17)	0.0241 (17)	0.0243 (16)	−0.0080 (13)	0.0056 (13)	0.0037 (13)
C27	0.0127 (13)	0.0191 (14)	0.0195 (14)	0.0018 (11)	0.0086 (11)	0.0017 (12)
C28	0.0121 (13)	0.0190 (14)	0.0141 (14)	0.0029 (11)	0.0061 (11)	0.0024 (11)
C29	0.0131 (13)	0.0222 (15)	0.0166 (14)	0.0009 (11)	0.0070 (11)	0.0006 (11)
C30	0.0153 (14)	0.0312 (17)	0.0186 (15)	−0.0024 (12)	0.0018 (11)	0.0019 (13)
C31	0.0209 (15)	0.0324 (18)	0.0204 (16)	0.0005 (13)	0.0047 (12)	0.0109 (13)
C32	0.0151 (14)	0.0241 (16)	0.0243 (16)	0.0007 (12)	0.0080 (12)	0.0083 (12)
C33	0.0151 (14)	0.0232 (15)	0.0097 (13)	−0.0011 (11)	−0.0010 (11)	−0.0002 (11)
C34	0.0144 (14)	0.0248 (15)	0.0131 (14)	0.0005 (12)	0.0010 (11)	0.0007 (12)
C35	0.0149 (14)	0.0336 (17)	0.0175 (15)	0.0038 (13)	0.0046 (11)	0.0046 (13)
C36	0.0201 (16)	0.0370 (19)	0.0188 (15)	0.0097 (13)	0.0079 (12)	0.0013 (13)
C37	0.0199 (15)	0.0292 (17)	0.0157 (14)	0.0052 (13)	0.0002 (12)	−0.0042 (12)
C38	0.0156 (14)	0.0222 (15)	0.0160 (14)	−0.0032 (12)	0.0034 (11)	−0.0014 (11)
C39	0.0229 (16)	0.0213 (16)	0.0263 (16)	−0.0004 (12)	0.0101 (13)	0.0003 (13)
C40	0.0175 (15)	0.0266 (17)	0.0361 (18)	0.0040 (13)	0.0137 (13)	0.0038 (14)
C41	0.0160 (15)	0.0275 (16)	0.0209 (15)	−0.0017 (12)	0.0063 (12)	0.0021 (12)
C42	0.0328 (18)	0.0297 (18)	0.0267 (17)	0.0027 (14)	0.0029 (14)	−0.0127 (14)
C43	0.076 (3)	0.061 (3)	0.031 (2)	−0.022 (2)	0.017 (2)	−0.024 (2)
C44	0.040 (2)	0.028 (2)	0.104 (4)	0.0096 (18)	0.000 (2)	−0.023 (2)
C45	0.045 (2)	0.0269 (18)	0.0316 (19)	−0.0083 (16)	0.0066 (16)	−0.0122 (15)
C46	0.0142 (14)	0.0318 (17)	0.0265 (17)	−0.0034 (13)	0.0034 (12)	0.0025 (13)
C47	0.0199 (17)	0.059 (3)	0.045 (2)	−0.0070 (17)	−0.0016 (16)	0.0151 (19)
C48	0.0212 (16)	0.0314 (18)	0.0264 (17)	−0.0105 (13)	0.0040 (13)	−0.0053 (14)
C49	0.0187 (16)	0.0317 (18)	0.043 (2)	−0.0048 (14)	0.0140 (14)	−0.0013 (15)
C1S	0.067 (10)	0.147 (7)	0.049 (8)	0.058 (6)	−0.001 (8)	−0.013 (5)
C2S	0.061 (6)	0.141 (7)	0.033 (4)	0.055 (5)	0.013 (4)	0.001 (4)
O1S	0.067 (4)	0.144 (6)	0.039 (3)	0.023 (4)	0.012 (3)	−0.001 (4)
C3S	0.030 (4)	0.173 (7)	0.023 (4)	−0.014 (4)	0.016 (3)	−0.023 (5)
C4S	0.071 (5)	0.156 (6)	0.028 (4)	−0.032 (5)	0.015 (4)	−0.021 (5)
C5S	0.016 (4)	0.134 (6)	0.011 (4)	−0.009 (5)	0.003 (3)	−0.023 (4)
C6S	0.039 (5)	0.138 (6)	0.031 (4)	−0.018 (5)	0.000 (4)	−0.014 (4)
O2S	0.042 (5)	0.111 (5)	0.036 (4)	−0.021 (4)	0.011 (3)	−0.013 (4)
C7S	0.045 (5)	0.087 (6)	0.025 (5)	−0.024 (5)	0.011 (5)	−0.010 (4)
C8S	0.056 (6)	0.096 (7)	0.023 (5)	−0.006 (6)	0.013 (5)	0.004 (5)
C9S	0.042 (5)	0.144 (7)	0.033 (5)	−0.018 (6)	−0.001 (4)	−0.012 (5)
C10S	0.028 (5)	0.133 (6)	0.030 (5)	−0.022 (5)	−0.005 (4)	−0.013 (5)
O3S	0.035 (5)	0.118 (6)	0.027 (5)	−0.017 (5)	0.001 (4)	−0.013 (5)
C11S	0.035 (5)	0.114 (6)	0.024 (5)	−0.015 (5)	0.005 (5)	−0.008 (5)
C12S	0.030 (6)	0.093 (6)	0.023 (5)	−0.008 (6)	0.013 (5)	−0.005 (5)

Geometric parameters (Å, º)

Cr1—N2	2.024 (2)	C31—C32	1.382 (4)
Cr1—N1	2.027 (2)	C31—H31	0.9500
Cr1—Cl1	2.3751 (9)	C32—H32	0.9500
Cr1—Cl2	2.3997 (8)	C33—C38	1.395 (4)
Cr2—N4	2.019 (2)	C33—C34	1.407 (4)
Cr2—N3	2.024 (2)	C34—C35	1.424 (4)
Cr2—Cl1	2.3759 (9)	C35—C36	1.376 (5)
Cr2—Cl2	2.4166 (8)	C35—H35	0.9500
O1—C23	1.393 (3)	C36—C37	1.417 (5)
O1—C28	1.394 (3)	C36—H36	0.9500
N1—C5	1.339 (4)	C37—C42	1.514 (5)
N1—C2	1.407 (4)	C38—C39	1.420 (4)
N2—C9	1.343 (4)	C39—C40	1.375 (4)
N2—C6	1.407 (4)	C39—H39	0.9500
N3—C41	1.336 (4)	C40—C41	1.420 (4)
N3—C38	1.412 (4)	C40—H40	0.9500
N4—C37	1.345 (4)	C41—C46	1.518 (4)
N4—C34	1.400 (4)	C42—C44	1.526 (5)
C1—C6	1.409 (4)	C42—C45	1.539 (5)
C1—C2	1.409 (4)	C42—C43	1.540 (5)
C1—C18	1.500 (4)	C43—H43A	0.9800
C2—C3	1.419 (4)	C43—H43B	0.9800
C3—C4	1.368 (4)	C43—H43C	0.9800
C3—H3	0.9500	C44—H44A	0.9800
C4—C5	1.418 (4)	C44—H44B	0.9800
C4—H4	0.9500	C44—H44C	0.9800
C5—C10	1.525 (4)	C45—H45A	0.9800
C6—C7	1.417 (4)	C45—H45B	0.9800
C7—C8	1.371 (4)	C45—H45C	0.9800
C7—H7	0.9500	C46—C48	1.527 (5)
C8—C9	1.419 (4)	C46—C49	1.537 (4)
C8—H8	0.9500	C46—C47	1.541 (4)
C9—C14	1.517 (4)	C47—H47A	0.9800
C10—C13	1.530 (4)	C47—H47B	0.9800
C10—C11	1.534 (4)	C47—H47C	0.9800
C10—C12	1.536 (4)	C48—H48A	0.9800
C11—H11A	0.9800	C48—H48B	0.9800
C11—H11B	0.9800	C48—H48C	0.9800
C11—H11C	0.9800	C49—H49A	0.9800
C12—H12A	0.9800	C49—H49B	0.9800
C12—H12B	0.9800	C49—H49C	0.9800
C12—H12C	0.9800	C1S—C2S	1.405 (17)
C13—H13A	0.9800	C1S—H1SA	0.9798
C13—H13B	0.9800	C1S—H1SB	0.9802
C13—H13C	0.9800	C1S—H1SC	0.9799
C14—C16	1.529 (4)	C2S—O1S	1.409 (10)
C14—C17	1.534 (4)	C2S—H2SA	0.9900
C14—C15	1.543 (4)	C2S—H2SB	0.9900
C15—H15A	0.9800	O1S—C3S	1.378 (10)
C15—H15B	0.9800	C3S—C4S	1.381 (13)
C15—H15C	0.9800	C3S—H3SA	0.9900
C16—H16A	0.9800	C3S—H3SB	0.9900
C16—H16B	0.9800	C4S—H4SA	0.9803
C16—H16C	0.9800	C4S—H4SB	0.9800
C17—H17A	0.9800	C4S—H4SC	0.9798
C17—H17B	0.9800	C5S—C6S	1.396 (16)
C17—H17C	0.9800	C5S—H5SA	0.9800
C18—C19	1.396 (4)	C5S—H5SB	0.9799
C18—C23	1.400 (4)	C5S—H5SC	0.9800
C19—C20	1.388 (4)	C6S—O2S	1.431 (12)
C19—H19	0.9500	C6S—H6SA	0.9900
C20—C21	1.381 (4)	C6S—H6SB	0.9900
C20—H20	0.9500	O2S—C7S	1.455 (12)
C21—C22	1.400 (4)	C7S—C8S	1.436 (16)
C21—H21	0.9500	C7S—H7SA	0.9900
C22—C23	1.392 (4)	C7S—H7SB	0.9900
C22—C24	1.519 (4)	C8S—H8SA	0.9800
C24—C27	1.528 (4)	C8S—H8SB	0.9799
C24—C26	1.537 (4)	C8S—H8SC	0.9801
C24—C25	1.548 (4)	C9S—C10S	1.353 (17)
C25—H25A	0.9800	C9S—H9SA	0.9800
C25—H25B	0.9800	C9S—H9SB	0.9802
C25—H25C	0.9800	C9S—H9SC	0.9800
C26—H26A	0.9800	C10S—O3S	1.453 (15)
C26—H26B	0.9800	C10S—H10A	0.9900
C26—H26C	0.9800	C10S—H10B	0.9900
C27—C32	1.393 (4)	O3S—C11S	1.429 (15)
C27—C28	1.396 (4)	C11S—C12S	1.369 (17)
C28—C29	1.404 (4)	C11S—H11D	0.9900
C29—C30	1.392 (4)	C11S—H11E	0.9900
C29—C33	1.500 (4)	C12S—H12D	0.9803
C30—C31	1.384 (4)	C12S—H12E	0.9800
C30—H30	0.9500	C12S—H12F	0.9800
N2—Cr1—N1	86.76 (9)	C31—C32—C27	121.1 (3)
N2—Cr1—Cl1	163.21 (7)	C31—C32—H32	119.5
N1—Cr1—Cl1	89.47 (7)	C27—C32—H32	119.5
N2—Cr1—Cl2	94.10 (7)	C38—C33—C34	124.6 (3)
N1—Cr1—Cl2	166.66 (7)	C38—C33—C29	116.5 (2)
Cl1—Cr1—Cl2	85.90 (3)	C34—C33—C29	117.4 (2)
N4—Cr2—N3	85.89 (10)	N4—C34—C33	122.3 (3)
N4—Cr2—Cl1	166.63 (7)	N4—C34—C35	108.1 (3)
N3—Cr2—Cl1	90.81 (7)	C33—C34—C35	128.0 (3)
N4—Cr2—Cl2	93.92 (7)	C36—C35—C34	106.9 (3)
N3—Cr2—Cl2	163.14 (7)	C36—C35—H35	126.6
Cl1—Cr2—Cl2	85.50 (3)	C34—C35—H35	126.6
Cr1—Cl1—Cr2	86.18 (3)	C35—C36—C37	107.6 (3)
Cr1—Cl2—Cr2	84.73 (3)	C35—C36—H36	126.2
C23—O1—C28	116.4 (2)	C37—C36—H36	126.2
C5—N1—C2	107.2 (2)	N4—C37—C36	109.7 (3)
C5—N1—Cr1	134.9 (2)	N4—C37—C42	122.8 (3)
C2—N1—Cr1	111.02 (17)	C36—C37—C42	127.3 (3)
C9—N2—C6	107.2 (2)	C33—C38—N3	123.6 (3)
C9—N2—Cr1	138.0 (2)	C33—C38—C39	127.1 (3)
C6—N2—Cr1	110.53 (17)	N3—C38—C39	108.2 (2)
C41—N3—C38	107.1 (2)	C40—C39—C38	107.0 (3)
C41—N3—Cr2	136.2 (2)	C40—C39—H39	126.5
C38—N3—Cr2	109.82 (17)	C38—C39—H39	126.5
C37—N4—C34	107.7 (2)	C39—C40—C41	107.3 (3)
C37—N4—Cr2	136.6 (2)	C39—C40—H40	126.4
C34—N4—Cr2	112.32 (18)	C41—C40—H40	126.4
C6—C1—C2	125.3 (3)	N3—C41—C40	110.4 (3)
C6—C1—C18	116.0 (2)	N3—C41—C46	124.6 (3)
C2—C1—C18	117.5 (2)	C40—C41—C46	125.0 (3)
N1—C2—C1	122.4 (2)	C37—C42—C44	110.1 (3)
N1—C2—C3	108.3 (2)	C37—C42—C45	112.3 (3)
C1—C2—C3	128.5 (3)	C44—C42—C45	108.7 (3)
C4—C3—C2	107.0 (3)	C37—C42—C43	108.0 (3)
C4—C3—H3	126.5	C44—C42—C43	110.5 (3)
C2—C3—H3	126.5	C45—C42—C43	107.1 (3)
C3—C4—C5	107.6 (3)	C42—C43—H43A	109.5
C3—C4—H4	126.2	C42—C43—H43B	109.5
C5—C4—H4	126.2	H43A—C43—H43B	109.5
N1—C5—C4	110.0 (3)	C42—C43—H43C	109.5
N1—C5—C10	124.0 (3)	H43A—C43—H43C	109.5
C4—C5—C10	125.9 (3)	H43B—C43—H43C	109.5
N2—C6—C1	123.2 (2)	C42—C44—H44A	109.5
N2—C6—C7	108.5 (2)	C42—C44—H44B	109.5
C1—C6—C7	126.6 (3)	H44A—C44—H44B	109.5
C8—C7—C6	106.7 (3)	C42—C44—H44C	109.5
C8—C7—H7	126.6	H44A—C44—H44C	109.5
C6—C7—H7	126.6	H44B—C44—H44C	109.5
C7—C8—C9	107.8 (3)	C42—C45—H45A	109.5
C7—C8—H8	126.1	C42—C45—H45B	109.5
C9—C8—H8	126.1	H45A—C45—H45B	109.5
N2—C9—C8	109.7 (3)	C42—C45—H45C	109.5
N2—C9—C14	124.0 (3)	H45A—C45—H45C	109.5
C8—C9—C14	126.1 (3)	H45B—C45—H45C	109.5
C5—C10—C13	112.1 (2)	C41—C46—C48	112.0 (3)
C5—C10—C11	107.7 (2)	C41—C46—C49	109.9 (3)
C13—C10—C11	108.3 (3)	C48—C46—C49	110.4 (3)
C5—C10—C12	110.0 (2)	C41—C46—C47	108.1 (3)
C13—C10—C12	109.8 (3)	C48—C46—C47	108.4 (3)
C11—C10—C12	109.0 (2)	C49—C46—C47	108.0 (3)
C10—C11—H11A	109.5	C46—C47—H47A	109.5
C10—C11—H11B	109.5	C46—C47—H47B	109.5
H11A—C11—H11B	109.5	H47A—C47—H47B	109.5
C10—C11—H11C	109.5	C46—C47—H47C	109.5
H11A—C11—H11C	109.5	H47A—C47—H47C	109.5
H11B—C11—H11C	109.5	H47B—C47—H47C	109.5
C10—C12—H12A	109.5	C46—C48—H48A	109.5
C10—C12—H12B	109.5	C46—C48—H48B	109.5
H12A—C12—H12B	109.5	H48A—C48—H48B	109.5
C10—C12—H12C	109.5	C46—C48—H48C	109.5
H12A—C12—H12C	109.5	H48A—C48—H48C	109.5
H12B—C12—H12C	109.5	H48B—C48—H48C	109.5
C10—C13—H13A	109.5	C46—C49—H49A	109.5
C10—C13—H13B	109.5	C46—C49—H49B	109.5
H13A—C13—H13B	109.5	H49A—C49—H49B	109.5
C10—C13—H13C	109.5	C46—C49—H49C	109.5
H13A—C13—H13C	109.5	H49A—C49—H49C	109.5
H13B—C13—H13C	109.5	H49B—C49—H49C	109.5
C9—C14—C16	112.0 (2)	C2S—C1S—H1SA	109.2
C9—C14—C17	110.3 (2)	C2S—C1S—H1SB	109.5
C16—C14—C17	109.9 (3)	H1SA—C1S—H1SB	109.5
C9—C14—C15	108.2 (2)	C2S—C1S—H1SC	109.7
C16—C14—C15	108.0 (3)	H1SA—C1S—H1SC	109.5
C17—C14—C15	108.3 (3)	H1SB—C1S—H1SC	109.5
C14—C15—H15A	109.5	C1S—C2S—O1S	113.9 (11)
C14—C15—H15B	109.5	C1S—C2S—H2SA	108.8
H15A—C15—H15B	109.5	O1S—C2S—H2SA	108.8
C14—C15—H15C	109.5	C1S—C2S—H2SB	108.8
H15A—C15—H15C	109.5	O1S—C2S—H2SB	108.8
H15B—C15—H15C	109.5	H2SA—C2S—H2SB	107.7
C14—C16—H16A	109.5	C3S—O1S—C2S	108.0 (9)
C14—C16—H16B	109.5	O1S—C3S—C4S	112.9 (9)
H16A—C16—H16B	109.5	O1S—C3S—H3SA	109.0
C14—C16—H16C	109.5	C4S—C3S—H3SA	109.0
H16A—C16—H16C	109.5	O1S—C3S—H3SB	109.0
H16B—C16—H16C	109.5	C4S—C3S—H3SB	109.0
C14—C17—H17A	109.5	H3SA—C3S—H3SB	107.8
C14—C17—H17B	109.5	C3S—C4S—H4SA	109.2
H17A—C17—H17B	109.5	C3S—C4S—H4SB	109.6
C14—C17—H17C	109.5	H4SA—C4S—H4SB	109.4
H17A—C17—H17C	109.5	C3S—C4S—H4SC	109.6
H17B—C17—H17C	109.5	H4SA—C4S—H4SC	109.5
C19—C18—C23	118.2 (3)	H4SB—C4S—H4SC	109.5
C19—C18—C1	117.5 (2)	C6S—C5S—H5SA	109.2
C23—C18—C1	124.1 (2)	C6S—C5S—H5SB	110.1
C20—C19—C18	121.0 (3)	H5SA—C5S—H5SB	109.5
C20—C19—H19	119.5	C6S—C5S—H5SC	109.1
C18—C19—H19	119.5	H5SA—C5S—H5SC	109.5
C21—C20—C19	119.6 (3)	H5SB—C5S—H5SC	109.5
C21—C20—H20	120.2	C5S—C6S—O2S	107.8 (13)
C19—C20—H20	120.2	C5S—C6S—H6SA	110.1
C20—C21—C22	121.2 (3)	O2S—C6S—H6SA	110.1
C20—C21—H21	119.4	C5S—C6S—H6SB	110.1
C22—C21—H21	119.4	O2S—C6S—H6SB	110.1
C23—C22—C21	118.2 (3)	H6SA—C6S—H6SB	108.5
C23—C22—C24	119.2 (2)	C6S—O2S—C7S	116.1 (11)
C21—C22—C24	122.5 (3)	C8S—C7S—O2S	127.3 (14)
C22—C23—O1	121.2 (2)	C8S—C7S—H7SA	105.5
C22—C23—C18	121.6 (3)	O2S—C7S—H7SA	105.5
O1—C23—C18	117.2 (2)	C8S—C7S—H7SB	105.5
C22—C24—C27	107.6 (2)	O2S—C7S—H7SB	105.5
C22—C24—C26	112.6 (2)	H7SA—C7S—H7SB	106.1
C27—C24—C26	112.4 (2)	C7S—C8S—H8SA	110.1
C22—C24—C25	108.5 (2)	C7S—C8S—H8SB	108.7
C27—C24—C25	107.2 (2)	H8SA—C8S—H8SB	109.5
C26—C24—C25	108.3 (2)	C7S—C8S—H8SC	109.5
C24—C25—H25A	109.5	H8SA—C8S—H8SC	109.5
C24—C25—H25B	109.5	H8SB—C8S—H8SC	109.5
H25A—C25—H25B	109.5	C10S—C9S—H9SA	108.8
C24—C25—H25C	109.5	C10S—C9S—H9SB	109.5
H25A—C25—H25C	109.5	H9SA—C9S—H9SB	109.5
H25B—C25—H25C	109.5	C10S—C9S—H9SC	110.1
C24—C26—H26A	109.5	H9SA—C9S—H9SC	109.5
C24—C26—H26B	109.5	H9SB—C9S—H9SC	109.5
H26A—C26—H26B	109.5	C9S—C10S—O3S	134 (2)
C24—C26—H26C	109.5	C9S—C10S—H10A	103.7
H26A—C26—H26C	109.5	O3S—C10S—H10A	103.7
H26B—C26—H26C	109.5	C9S—C10S—H10B	103.7
C32—C27—C28	118.6 (3)	O3S—C10S—H10B	103.7
C32—C27—C24	122.5 (3)	H10A—C10S—H10B	105.3
C28—C27—C24	118.7 (2)	C11S—O3S—C10S	96.9 (16)
O1—C28—C27	121.2 (2)	C12S—C11S—O3S	123 (2)
O1—C28—C29	117.6 (2)	C12S—C11S—H11D	106.5
C27—C28—C29	121.1 (3)	O3S—C11S—H11D	106.5
C30—C29—C28	118.2 (3)	C12S—C11S—H11E	106.5
C30—C29—C33	117.5 (3)	O3S—C11S—H11E	106.5
C28—C29—C33	124.3 (2)	H11D—C11S—H11E	106.5
C31—C30—C29	121.4 (3)	C11S—C12S—H12D	109.5
C31—C30—H30	119.3	C11S—C12S—H12E	109.2
C29—C30—H30	119.3	H12D—C12S—H12E	109.5
C32—C31—C30	119.6 (3)	C11S—C12S—H12F	109.7
C32—C31—H31	120.2	H12D—C12S—H12F	109.5
C30—C31—H31	120.2	H12E—C12S—H12F	109.5
C5—N1—C2—C1	−168.9 (2)	C22—C24—C27—C28	35.2 (3)
Cr1—N1—C2—C1	35.6 (3)	C26—C24—C27—C28	159.7 (3)
C5—N1—C2—C3	1.6 (3)	C25—C24—C27—C28	−81.4 (3)
Cr1—N1—C2—C3	−153.91 (18)	C23—O1—C28—C27	−24.8 (3)
C6—C1—C2—N1	7.9 (4)	C23—O1—C28—C29	155.7 (2)
C18—C1—C2—N1	174.7 (2)	C32—C27—C28—O1	176.3 (2)
C6—C1—C2—C3	−160.5 (3)	C24—C27—C28—O1	−7.4 (4)
C18—C1—C2—C3	6.3 (4)	C32—C27—C28—C29	−4.1 (4)
N1—C2—C3—C4	−1.8 (3)	C24—C27—C28—C29	172.1 (2)
C1—C2—C3—C4	168.0 (3)	O1—C28—C29—C30	−178.0 (2)
C2—C3—C4—C5	1.2 (3)	C27—C28—C29—C30	2.5 (4)
C2—N1—C5—C4	−0.8 (3)	O1—C28—C29—C33	1.9 (4)
Cr1—N1—C5—C4	146.1 (2)	C27—C28—C29—C33	−177.6 (3)
C2—N1—C5—C10	175.4 (2)	C28—C29—C30—C31	0.3 (4)
Cr1—N1—C5—C10	−37.7 (4)	C33—C29—C30—C31	−179.6 (3)
C3—C4—C5—N1	−0.3 (3)	C29—C30—C31—C32	−1.4 (5)
C3—C4—C5—C10	−176.4 (3)	C30—C31—C32—C27	−0.3 (5)
C9—N2—C6—C1	163.6 (3)	C28—C27—C32—C31	3.1 (4)
Cr1—N2—C6—C1	−35.2 (3)	C24—C27—C32—C31	−173.1 (3)
C9—N2—C6—C7	−2.4 (3)	C30—C29—C33—C38	78.2 (3)
Cr1—N2—C6—C7	158.78 (18)	C28—C29—C33—C38	−101.7 (3)
C2—C1—C6—N2	−8.1 (4)	C30—C29—C33—C34	−88.8 (3)
C18—C1—C6—N2	−175.1 (2)	C28—C29—C33—C34	91.4 (3)
C2—C1—C6—C7	155.3 (3)	C37—N4—C34—C33	−164.0 (3)
C18—C1—C6—C7	−11.8 (4)	Cr2—N4—C34—C33	33.2 (3)
N2—C6—C7—C8	2.6 (3)	C37—N4—C34—C35	2.5 (3)
C1—C6—C7—C8	−162.8 (3)	Cr2—N4—C34—C35	−160.27 (18)
C6—C7—C8—C9	−1.8 (3)	C38—C33—C34—N4	10.4 (4)
C6—N2—C9—C8	1.2 (3)	C29—C33—C34—N4	176.1 (2)
Cr1—N2—C9—C8	−151.9 (2)	C38—C33—C34—C35	−153.3 (3)
C6—N2—C9—C14	−175.4 (2)	C29—C33—C34—C35	12.5 (4)
Cr1—N2—C9—C14	31.5 (4)	N4—C34—C35—C36	−2.4 (3)
C7—C8—C9—N2	0.4 (3)	C33—C34—C35—C36	163.1 (3)
C7—C8—C9—C14	176.9 (3)	C34—C35—C36—C37	1.5 (3)
N1—C5—C10—C13	−4.1 (4)	C34—N4—C37—C36	−1.6 (3)
C4—C5—C10—C13	171.5 (3)	Cr2—N4—C37—C36	154.9 (2)
N1—C5—C10—C11	−123.1 (3)	C34—N4—C37—C42	174.7 (3)
C4—C5—C10—C11	52.5 (4)	Cr2—N4—C37—C42	−28.9 (4)
N1—C5—C10—C12	118.3 (3)	C35—C36—C37—N4	0.0 (3)
C4—C5—C10—C12	−66.0 (4)	C35—C36—C37—C42	−176.0 (3)
N2—C9—C14—C16	8.7 (4)	C34—C33—C38—N3	−7.5 (4)
C8—C9—C14—C16	−167.4 (3)	C29—C33—C38—N3	−173.3 (2)
N2—C9—C14—C17	−114.0 (3)	C34—C33—C38—C39	159.5 (3)
C8—C9—C14—C17	69.9 (4)	C29—C33—C38—C39	−6.3 (4)
N2—C9—C14—C15	127.7 (3)	C41—N3—C38—C33	166.6 (3)
C8—C9—C14—C15	−48.4 (4)	Cr2—N3—C38—C33	−37.6 (3)
C6—C1—C18—C19	98.7 (3)	C41—N3—C38—C39	−2.5 (3)
C2—C1—C18—C19	−69.4 (3)	Cr2—N3—C38—C39	153.33 (19)
C6—C1—C18—C23	−77.1 (3)	C33—C38—C39—C40	−166.2 (3)
C2—C1—C18—C23	114.8 (3)	N3—C38—C39—C40	2.4 (3)
C23—C18—C19—C20	−0.2 (4)	C38—C39—C40—C41	−1.3 (3)
C1—C18—C19—C20	−176.2 (3)	C38—N3—C41—C40	1.7 (3)
C18—C19—C20—C21	2.5 (5)	Cr2—N3—C41—C40	−144.5 (2)
C19—C20—C21—C22	−1.5 (5)	C38—N3—C41—C46	−175.7 (3)
C20—C21—C22—C23	−1.8 (4)	Cr2—N3—C41—C46	38.0 (4)
C20—C21—C22—C24	174.5 (3)	C39—C40—C41—N3	−0.2 (4)
C21—C22—C23—O1	−177.2 (2)	C39—C40—C41—C46	177.2 (3)
C24—C22—C23—O1	6.4 (4)	N4—C37—C42—C44	118.7 (4)
C21—C22—C23—C18	4.1 (4)	C36—C37—C42—C44	−65.8 (4)
C24—C22—C23—C18	−172.3 (2)	N4—C37—C42—C45	−2.6 (4)
C28—O1—C23—C22	25.4 (3)	C36—C37—C42—C45	172.9 (3)
C28—O1—C23—C18	−155.9 (2)	N4—C37—C42—C43	−120.5 (3)
C19—C18—C23—C22	−3.1 (4)	C36—C37—C42—C43	55.0 (4)
C1—C18—C23—C22	172.6 (3)	N3—C41—C46—C48	5.5 (4)
C19—C18—C23—O1	178.1 (2)	C40—C41—C46—C48	−171.6 (3)
C1—C18—C23—O1	−6.2 (4)	N3—C41—C46—C49	−117.6 (3)
C23—C22—C24—C27	−34.8 (3)	C40—C41—C46—C49	65.3 (4)
C21—C22—C24—C27	148.9 (3)	N3—C41—C46—C47	124.8 (3)
C23—C22—C24—C26	−159.2 (3)	C40—C41—C46—C47	−52.2 (4)
C21—C22—C24—C26	24.6 (4)	C1S—C2S—O1S—C3S	175.8 (16)
C23—C22—C24—C25	81.0 (3)	C2S—O1S—C3S—C4S	170.6 (8)
C21—C22—C24—C25	−95.3 (3)	C5S—C6S—O2S—C7S	94.6 (16)
C22—C24—C27—C32	−148.7 (3)	C6S—O2S—C7S—C8S	−115.7 (19)
C26—C24—C27—C32	−24.2 (4)	C9S—C10S—O3S—C11S	−131 (3)
C25—C24—C27—C32	94.8 (3)	C10S—O3S—C11S—C12S	126 (3)

Dipotassium di-µ-chlorido-{µ-2,2'-[(10,10-dimethyl-9H-xanthene-1,8-diyl)bis(5-tert-butyl-2H-pyrrol-2-ylidene)bis(methanylylidene)]bis(5-tert-butyl-1H-pyrrol-1-ide)-κ⁴N,N':N'',N'''}dichromium(I)–tetrahydrofuran–diethyl ether (1/0/5/0.5) (2)

Crystal data

K2[Cr2(C49H56N4O)Cl2(C4H8O)3]·0.5C4H10O·0.5C4H8O	Dx = 1.286 Mg m^−3
Mr = 1259.50	Melting point: not measured K
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 17.554 (2) Å	Cell parameters from 9436 reflections
b = 16.640 (3) Å	θ = 3.0–25.0°
c = 22.267 (3) Å	µ = 0.59 mm^−1
β = 90.785 (5)°	T = 100 K
V = 6503.3 (18) Å^3	Block, red
Z = 4	0.41 × 0.27 × 0.20 mm
F(000) = 2668

Data collection

Bruker APEXII CCD diffractometer	9406 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.062
ω and phi scans	θmax = 25.1°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −20→20
Tmin = 0.697, Tmax = 0.745	k = −19→19
160364 measured reflections	l = −26→26
11484 independent reflections

Refinement

Refinement on F^2	776 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.067	H-atom parameters constrained
wR(F^2) = 0.174	w = 1/[σ^2(Fo^2) + (0.0425P)^2 + 32.8757P] where P = (Fo^2 + 2Fc^2)/3
S = 1.15	(Δ/σ)max < 0.001
11484 reflections	Δρmax = 0.79 e Å^−3
929 parameters	Δρmin = −0.58 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. Disordered tetrahydrofuran was appropriately modeled.

All structures were collected on a Bruker three-circle platform goniometer equipped with an Apex II CCD and an Oxford cryostream-cooling device fixed at 100 K. Radiation was from graphite-monochromated fine focus Mo Kα (λ = 0.71073 Å) sealed tube source.. Crystals did not show significant decay during the data collection. Data was collected as a series of φ and/or ω scans. Data integration down to 0.84 Å resolution was carried out using SAINT V8.37 A with reflection spot size optimization. Absorption corrections were made with the program SADABS. Space group assignments were determined by examination of systematic absences, E-statistics, and successive refinement of the structures. The structure was solved by the Intrinsic Phasing methods and refined by least squares methods again F2 using SHELXT-2014 (Sheldrick, 2015a) and SHELXL2014 (Sheldrick, 2015b) with the OLEX 2 (Dolomanov, et al., 2009) interface. The program PLATON (Spek, 2003) was employed to confirm the absence of higher symmetry space groups.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cr1	0.41101 (4)	0.70881 (4)	0.13085 (3)	0.02203 (18)
Cr2	0.58662 (4)	0.76920 (4)	0.13648 (3)	0.02130 (18)
K1	0.55807 (6)	0.56127 (7)	0.22970 (5)	0.0327 (3)
O1S	0.6058 (8)	0.4090 (5)	0.2296 (10)	0.049 (3)	0.587 (17)
C1S	0.5533 (7)	0.3465 (7)	0.2412 (8)	0.063 (4)	0.587 (17)
H1SA	0.528328	0.328779	0.203324	0.076*	0.587 (17)
H1SB	0.513550	0.365419	0.268906	0.076*	0.587 (17)
C2S	0.5964 (9)	0.2793 (9)	0.2686 (11)	0.091 (5)	0.587 (17)
H2SA	0.603743	0.235917	0.238776	0.109*	0.587 (17)
H2SB	0.568293	0.257025	0.303037	0.109*	0.587 (17)
C3S	0.6713 (17)	0.3116 (14)	0.2890 (14)	0.050 (4)	0.587 (17)
H3SA	0.713334	0.276783	0.275147	0.060*	0.587 (17)
H3SB	0.673816	0.314907	0.333405	0.060*	0.587 (17)
C4S	0.6769 (16)	0.3943 (14)	0.2614 (14)	0.043 (4)	0.587 (17)
H4SA	0.685046	0.435250	0.293076	0.052*	0.587 (17)
H4SB	0.720071	0.396599	0.233331	0.052*	0.587 (17)
O1T	0.6242 (11)	0.4168 (7)	0.2253 (16)	0.054 (5)	0.413 (17)
C1T	0.5930 (12)	0.3461 (10)	0.2001 (10)	0.066 (5)	0.413 (17)
H1TA	0.610987	0.338887	0.158522	0.080*	0.413 (17)
H1TB	0.536703	0.349215	0.199215	0.080*	0.413 (17)
C2T	0.6191 (14)	0.2768 (10)	0.2390 (10)	0.066 (5)	0.413 (17)
H2TA	0.574619	0.246502	0.253899	0.079*	0.413 (17)
H2TB	0.651435	0.239724	0.215731	0.079*	0.413 (17)
C3T	0.663 (3)	0.3118 (19)	0.290 (2)	0.050 (6)	0.413 (17)
H3TA	0.710063	0.280237	0.298537	0.060*	0.413 (17)
H3TB	0.632272	0.313564	0.326991	0.060*	0.413 (17)
C4T	0.683 (2)	0.396 (2)	0.269 (2)	0.045 (6)	0.413 (17)
H4TA	0.682588	0.433901	0.303350	0.054*	0.413 (17)
H4TB	0.733742	0.396666	0.250766	0.054*	0.413 (17)
O2S	0.5608 (6)	0.5163 (4)	0.3545 (2)	0.038 (2)	0.790 (12)
C5S	0.5691 (6)	0.4587 (5)	0.4026 (4)	0.050 (2)	0.790 (12)
H5SA	0.604836	0.415591	0.391023	0.060*	0.790 (12)
H5SB	0.519223	0.434002	0.411621	0.060*	0.790 (12)
C6S	0.5993 (9)	0.5028 (7)	0.4567 (5)	0.044 (3)	0.790 (12)
H6SA	0.654730	0.493560	0.462031	0.053*	0.790 (12)
H6SB	0.572965	0.485423	0.493487	0.053*	0.790 (12)
C7S	0.5826 (5)	0.5922 (5)	0.4427 (4)	0.043 (2)	0.790 (12)
H7SA	0.553305	0.617503	0.475383	0.052*	0.790 (12)
H7SB	0.630316	0.622723	0.436881	0.052*	0.790 (12)
C8S	0.5356 (4)	0.5880 (4)	0.3847 (3)	0.0345 (18)	0.790 (12)
H8SA	0.480547	0.584603	0.393573	0.041*	0.790 (12)
H8SB	0.544564	0.636072	0.359638	0.041*	0.790 (12)
O2T	0.557 (3)	0.5422 (16)	0.3573 (7)	0.041 (6)	0.210 (12)
C5T	0.5298 (18)	0.4646 (15)	0.3745 (13)	0.045 (6)	0.210 (12)
H5TA	0.538006	0.424975	0.341988	0.053*	0.210 (12)
H5TB	0.474658	0.466935	0.383102	0.053*	0.210 (12)
C6T	0.575 (2)	0.4417 (15)	0.4300 (14)	0.049 (7)	0.210 (12)
H6TA	0.621760	0.412452	0.419488	0.058*	0.210 (12)
H6TB	0.543955	0.407601	0.456920	0.058*	0.210 (12)
C7T	0.594 (4)	0.523 (2)	0.4598 (18)	0.046 (7)	0.210 (12)
H7TA	0.563213	0.530714	0.496510	0.055*	0.210 (12)
H7TB	0.648382	0.526165	0.470622	0.055*	0.210 (12)
C8T	0.573 (2)	0.5845 (14)	0.4123 (13)	0.045 (6)	0.210 (12)
H8TA	0.526882	0.614913	0.424548	0.054*	0.210 (12)
H8TB	0.615030	0.622876	0.406985	0.054*	0.210 (12)
K2	0.4356 (6)	0.9027 (5)	0.2266 (4)	0.0309 (12)	0.425 (11)
O3S	0.3948 (14)	1.0310 (12)	0.2892 (10)	0.047 (4)	0.425 (11)
C9S	0.4349 (9)	1.0755 (10)	0.3363 (8)	0.050 (3)	0.425 (11)
H9SA	0.455903	1.038433	0.367100	0.060*	0.425 (11)
H9SB	0.477329	1.107075	0.319278	0.060*	0.425 (11)
C10S	0.3786 (9)	1.1282 (11)	0.3620 (8)	0.064 (4)	0.425 (11)
H10A	0.402850	1.177023	0.378970	0.077*	0.425 (11)
H10B	0.350477	1.100410	0.394233	0.077*	0.425 (11)
C11S	0.3250 (11)	1.1496 (14)	0.3094 (10)	0.057 (5)	0.425 (11)
H11A	0.347279	1.190553	0.282538	0.069*	0.425 (11)
H11B	0.274416	1.167740	0.323065	0.069*	0.425 (11)
C12S	0.3219 (19)	1.066 (3)	0.280 (3)	0.057 (6)	0.425 (11)
H12A	0.282176	1.032270	0.298926	0.069*	0.425 (11)
H12B	0.310050	1.070319	0.236563	0.069*	0.425 (11)
K2'	0.4346 (4)	0.9220 (5)	0.2103 (4)	0.0510 (16)	0.575 (11)
O3T	0.3930 (10)	1.0440 (10)	0.2746 (9)	0.065 (5)	0.575 (11)
C9T	0.4480 (7)	1.0974 (9)	0.3035 (9)	0.076 (4)	0.575 (11)
H9TA	0.488837	1.111730	0.275171	0.092*	0.575 (11)
H9TB	0.471441	1.070946	0.338974	0.092*	0.575 (11)
C10T	0.4062 (6)	1.1698 (7)	0.3217 (6)	0.054 (3)	0.575 (11)
H10C	0.405035	1.210400	0.289206	0.065*	0.575 (11)
H10D	0.429152	1.194037	0.358307	0.065*	0.575 (11)
C11T	0.3262 (8)	1.1371 (10)	0.3339 (8)	0.059 (4)	0.575 (11)
H11C	0.286928	1.179658	0.330848	0.071*	0.575 (11)
H11D	0.323401	1.110806	0.373710	0.071*	0.575 (11)
C12T	0.3191 (11)	1.0761 (17)	0.2824 (16)	0.041 (4)	0.575 (11)
H12C	0.282710	1.033024	0.292793	0.049*	0.575 (11)
H12D	0.301007	1.102883	0.245170	0.049*	0.575 (11)
Cl1	0.52900 (6)	0.64638 (7)	0.10074 (5)	0.0269 (3)
Cl2	0.47195 (6)	0.82881 (7)	0.09365 (5)	0.0289 (3)
O1	0.47373 (18)	0.7867 (2)	0.33659 (14)	0.0277 (7)
N1	0.3774 (2)	0.6086 (2)	0.17240 (17)	0.0233 (8)
N2	0.3313 (2)	0.7696 (2)	0.17552 (17)	0.0242 (8)
N3	0.6618 (2)	0.7106 (2)	0.18909 (16)	0.0226 (8)
N4	0.6155 (2)	0.8721 (2)	0.17729 (17)	0.0229 (8)
C1	0.3717 (3)	0.6899 (3)	0.2656 (2)	0.0250 (10)
C2	0.3832 (2)	0.6153 (3)	0.2353 (2)	0.0245 (10)
C3	0.3943 (3)	0.5372 (3)	0.2595 (2)	0.0292 (11)
H3	0.377189	0.521931	0.300628	0.035*
C4	0.3924 (3)	0.4842 (3)	0.2116 (2)	0.0306 (11)
H4	0.381307	0.425538	0.215513	0.037*
C5	0.3817 (3)	0.5279 (3)	0.1587 (2)	0.0269 (10)
C6	0.3380 (3)	0.7603 (3)	0.2378 (2)	0.0259 (10)
C7	0.2985 (3)	0.8221 (3)	0.2664 (2)	0.0313 (11)
H7A	0.281168	0.820188	0.308964	0.038*	0.425 (11)
H7B	0.283916	0.822461	0.309648	0.038*	0.575 (11)
C8	0.2640 (3)	0.8681 (3)	0.2209 (2)	0.0302 (11)
H8A	0.222858	0.908779	0.227007	0.036*	0.425 (11)
H8B	0.220201	0.905557	0.227000	0.036*	0.575 (11)
C9	0.2837 (3)	0.8345 (3)	0.1658 (2)	0.0274 (10)
C10	0.3694 (3)	0.4958 (3)	0.0955 (2)	0.0315 (11)
C11	0.3026 (3)	0.4353 (4)	0.0970 (3)	0.0457 (15)
H11E	0.314066	0.392926	0.126305	0.069*
H11F	0.295511	0.411304	0.057092	0.069*
H11G	0.255897	0.463302	0.108437	0.069*
C12	0.4410 (3)	0.4513 (3)	0.0741 (2)	0.0379 (13)
H12E	0.484119	0.488704	0.073287	0.057*
H12F	0.431755	0.429817	0.033667	0.057*
H12G	0.452829	0.406973	0.101703	0.057*
C13	0.3484 (3)	0.5623 (3)	0.0509 (2)	0.0407 (13)
H13A	0.303389	0.591071	0.064959	0.061*
H13B	0.337341	0.538470	0.011436	0.061*
H13C	0.391142	0.599871	0.047536	0.061*
C14	0.2546 (3)	0.8608 (3)	0.1039 (2)	0.0296 (11)
C15	0.1674 (3)	0.8727 (4)	0.1081 (3)	0.0417 (14)
H15A	0.143699	0.822526	0.121214	0.063*
H15B	0.146699	0.887878	0.068570	0.063*
H15C	0.156592	0.915374	0.137104	0.063*
C16	0.2696 (3)	0.7981 (3)	0.0558 (2)	0.0338 (12)
H16A	0.324488	0.794120	0.049094	0.051*
H16B	0.243696	0.813785	0.018326	0.051*
H16C	0.250135	0.745861	0.069023	0.051*
C17	0.2911 (3)	0.9412 (3)	0.0860 (3)	0.0408 (13)
H17A	0.281610	0.981388	0.117160	0.061*
H17B	0.268933	0.959579	0.047743	0.061*
H17C	0.346187	0.933919	0.081582	0.061*
C18	0.3725 (3)	0.6909 (3)	0.3328 (2)	0.0292 (11)
C19	0.3222 (3)	0.6422 (3)	0.3637 (2)	0.0347 (12)
H19	0.290249	0.606214	0.341870	0.042*
C20	0.3176 (3)	0.6449 (4)	0.4256 (2)	0.0417 (14)
H20	0.284193	0.609342	0.445736	0.050*
C21	0.3615 (3)	0.6993 (4)	0.4586 (2)	0.0391 (13)
H21	0.357026	0.701982	0.500982	0.047*
C22	0.4122 (3)	0.7498 (3)	0.4288 (2)	0.0340 (12)
C23	0.4186 (3)	0.7421 (3)	0.3665 (2)	0.0266 (10)
C24	0.4585 (3)	0.8154 (3)	0.4608 (2)	0.0366 (12)
C25	0.4184 (3)	0.8971 (4)	0.4477 (3)	0.0428 (14)
H25A	0.417957	0.907434	0.404403	0.064*
H25B	0.446091	0.940351	0.468491	0.064*
H25C	0.365928	0.895119	0.462139	0.064*
C26	0.4634 (3)	0.8028 (4)	0.5285 (2)	0.0458 (15)
H26A	0.411875	0.799872	0.544812	0.069*
H26B	0.490849	0.847902	0.547084	0.069*
H26C	0.490574	0.752631	0.537239	0.069*
C27	0.5364 (3)	0.8160 (3)	0.4326 (2)	0.0313 (11)
C28	0.6041 (3)	0.8295 (3)	0.4634 (2)	0.0365 (12)
H28	0.603215	0.836433	0.505765	0.044*
C29	0.6723 (3)	0.8330 (3)	0.4346 (2)	0.0358 (12)
H29	0.717907	0.843859	0.456657	0.043*
C30	0.6746 (3)	0.8206 (3)	0.3730 (2)	0.0300 (11)
H30	0.722208	0.823487	0.353277	0.036*
C31	0.6092 (3)	0.8042 (3)	0.3394 (2)	0.0246 (10)
C32	0.5405 (3)	0.8025 (3)	0.3701 (2)	0.0254 (10)
C33	0.6145 (3)	0.7954 (3)	0.2730 (2)	0.0237 (10)
C34	0.6048 (3)	0.8673 (3)	0.2392 (2)	0.0236 (10)
C35	0.5922 (3)	0.9455 (3)	0.2622 (2)	0.0251 (10)
H35	0.606699	0.961362	0.304122	0.030*	0.425 (11)
H35A	0.602880	0.961416	0.304779	0.030*	0.575 (11)
C36	0.5987 (3)	0.9982 (3)	0.2127 (2)	0.0284 (11)
H36	0.605245	1.057803	0.215805	0.034*	0.425 (11)
H36A	0.609007	1.057159	0.216340	0.034*	0.575 (11)
C37	0.6144 (3)	0.9531 (3)	0.1621 (2)	0.0253 (10)
C38	0.6509 (3)	0.7245 (3)	0.2510 (2)	0.0232 (10)
C39	0.6879 (3)	0.6634 (3)	0.2836 (2)	0.0261 (10)
H39	0.701016	0.666389	0.327401	0.031*
C40	0.7254 (3)	0.6146 (3)	0.2420 (2)	0.0262 (10)
H40	0.768935	0.577990	0.252051	0.031*
C41	0.7092 (3)	0.6452 (3)	0.1848 (2)	0.0237 (10)
C42	0.6341 (3)	0.9833 (3)	0.1000 (2)	0.0311 (11)
C43	0.6968 (3)	1.0466 (3)	0.1068 (2)	0.0380 (13)
H43A	0.678089	1.091449	0.131065	0.057*
H43B	0.710984	1.066375	0.067063	0.057*
H43C	0.741391	1.022558	0.126710	0.057*
C44	0.5650 (3)	1.0227 (4)	0.0691 (3)	0.0465 (15)
H44A	0.524305	0.982941	0.064019	0.070*
H44B	0.579839	1.043184	0.029656	0.070*
H44C	0.546839	1.067322	0.093823	0.070*
C45	0.6636 (4)	0.9156 (4)	0.0606 (3)	0.0504 (16)
H45A	0.707002	0.889460	0.080675	0.076*
H45B	0.679783	0.937620	0.021988	0.076*
H45C	0.622980	0.876081	0.053713	0.076*
C46	0.7421 (3)	0.6157 (3)	0.1261 (2)	0.0274 (10)
C47	0.8283 (3)	0.6028 (3)	0.1361 (2)	0.0364 (12)
H47A	0.853194	0.654836	0.142788	0.055*
H47B	0.849905	0.577001	0.100616	0.055*
H47C	0.836723	0.568381	0.171295	0.055*
C48	0.7310 (3)	0.6761 (3)	0.0753 (2)	0.0299 (11)
H48A	0.676691	0.680186	0.065028	0.045*
H48B	0.759132	0.658112	0.040029	0.045*
H48C	0.750098	0.728751	0.088183	0.045*
C49	0.7073 (3)	0.5327 (3)	0.1078 (3)	0.0383 (13)
H49A	0.714568	0.494425	0.140874	0.057*
H49B	0.732884	0.512540	0.071981	0.057*
H49C	0.652788	0.539021	0.099180	0.057*
C13S	1.1241 (7)	0.2047 (8)	0.5837 (6)	0.055 (3)	0.5
H13D	1.147286	0.242224	0.612500	0.082*	0.5
H13E	1.158965	0.195907	0.550316	0.082*	0.5
H13F	1.114029	0.153390	0.603694	0.082*	0.5
C14S	1.0490 (6)	0.2399 (7)	0.5595 (4)	0.037 (2)	0.5
H14A	1.059229	0.289057	0.535836	0.044*	0.5
H14B	1.023103	0.200483	0.532944	0.044*	0.5
O4S	1.0029 (4)	0.2584 (4)	0.6079 (3)	0.0334 (15)	0.5
C15S	0.9370 (8)	0.2847 (12)	0.5806 (9)	0.070 (4)	0.5
H15D	0.914548	0.241795	0.555103	0.084*	0.5
H15E	0.947210	0.332139	0.555065	0.084*	0.5
C16S	0.8817 (12)	0.3074 (15)	0.6326 (12)	0.114 (8)	0.5
H16D	0.900885	0.284512	0.670490	0.171*	0.5
H16E	0.830837	0.285753	0.623737	0.171*	0.5
H16F	0.878769	0.365975	0.636257	0.171*	0.5
O5S	0.9185 (7)	0.4090 (8)	0.6433 (5)	0.091 (3)	0.5
C17S	0.9528 (10)	0.3370 (10)	0.6732 (8)	0.085 (4)	0.5
H17D	0.955086	0.342997	0.717459	0.102*	0.5
H17E	1.004235	0.324935	0.657999	0.102*	0.5
C18S	0.8952 (12)	0.2749 (11)	0.6538 (8)	0.078 (5)	0.5
H18A	0.844068	0.286057	0.669990	0.094*	0.5
H18B	0.911247	0.219843	0.665161	0.094*	0.5
C19S	0.8979 (15)	0.2882 (12)	0.5853 (8)	0.085 (5)	0.5
H19A	0.945763	0.267300	0.568183	0.102*	0.5
H19B	0.853863	0.263034	0.564454	0.102*	0.5
C20S	0.8943 (12)	0.3795 (10)	0.5820 (8)	0.090 (5)	0.5
H20A	0.929118	0.399948	0.550883	0.108*	0.5
H20B	0.841862	0.397503	0.572069	0.108*	0.5

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cr1	0.0242 (4)	0.0191 (4)	0.0228 (4)	0.0003 (3)	0.0007 (3)	−0.0001 (3)
Cr2	0.0235 (4)	0.0198 (4)	0.0206 (4)	0.0004 (3)	−0.0004 (3)	−0.0006 (3)
K1	0.0276 (6)	0.0356 (6)	0.0350 (6)	−0.0011 (5)	0.0022 (5)	0.0036 (5)
O1S	0.042 (6)	0.038 (5)	0.066 (6)	0.007 (4)	−0.012 (6)	0.003 (5)
C1S	0.047 (6)	0.053 (6)	0.089 (9)	−0.004 (5)	−0.014 (6)	0.017 (6)
C2S	0.064 (8)	0.073 (8)	0.135 (13)	−0.015 (6)	−0.025 (9)	0.046 (9)
C3S	0.040 (8)	0.045 (8)	0.066 (8)	0.008 (6)	0.003 (6)	0.015 (7)
C4S	0.034 (7)	0.045 (7)	0.051 (10)	0.008 (6)	0.001 (6)	0.016 (7)
O1T	0.039 (9)	0.045 (7)	0.078 (10)	−0.006 (6)	−0.024 (9)	0.007 (6)
C1T	0.061 (10)	0.056 (8)	0.081 (11)	0.000 (7)	−0.031 (8)	−0.009 (7)
C2T	0.071 (11)	0.040 (7)	0.086 (11)	0.003 (7)	−0.028 (9)	−0.015 (7)
C3T	0.029 (11)	0.047 (10)	0.072 (11)	0.002 (8)	−0.017 (9)	0.001 (8)
C4T	0.030 (9)	0.044 (9)	0.060 (12)	0.002 (8)	−0.010 (8)	−0.007 (8)
O2S	0.055 (4)	0.028 (4)	0.032 (3)	0.005 (4)	0.002 (3)	−0.004 (2)
C5S	0.066 (6)	0.040 (4)	0.044 (5)	0.010 (4)	0.005 (5)	0.005 (3)
C6S	0.039 (5)	0.056 (6)	0.038 (4)	0.011 (5)	0.003 (4)	0.007 (4)
C7S	0.047 (4)	0.052 (4)	0.031 (4)	0.006 (4)	−0.006 (4)	−0.003 (4)
C8S	0.040 (4)	0.036 (4)	0.027 (4)	0.004 (3)	0.004 (3)	−0.001 (3)
O2T	0.058 (13)	0.032 (11)	0.034 (9)	−0.005 (11)	0.007 (9)	0.000 (8)
C5T	0.053 (13)	0.032 (10)	0.049 (12)	−0.004 (10)	0.001 (10)	0.004 (9)
C6T	0.059 (14)	0.042 (10)	0.045 (13)	0.002 (11)	0.000 (12)	0.004 (9)
C7T	0.055 (16)	0.048 (13)	0.036 (10)	0.006 (11)	0.001 (11)	−0.008 (10)
C8T	0.055 (13)	0.041 (9)	0.040 (11)	−0.001 (10)	−0.001 (11)	−0.004 (9)
K2	0.032 (2)	0.023 (2)	0.037 (3)	0.0004 (16)	−0.0005 (18)	0.0010 (16)
O3S	0.041 (6)	0.039 (6)	0.061 (8)	0.012 (5)	−0.017 (6)	−0.024 (6)
C9S	0.042 (6)	0.039 (7)	0.067 (8)	0.004 (5)	−0.017 (6)	−0.019 (6)
C10S	0.049 (7)	0.062 (7)	0.080 (8)	0.007 (6)	−0.015 (6)	−0.038 (6)
C11S	0.037 (7)	0.056 (8)	0.077 (10)	0.012 (6)	−0.003 (7)	−0.029 (8)
C12S	0.041 (10)	0.048 (9)	0.084 (11)	0.005 (8)	−0.001 (9)	−0.033 (9)
K2'	0.0238 (15)	0.058 (4)	0.071 (4)	−0.002 (2)	0.002 (2)	−0.041 (3)
O3T	0.038 (5)	0.053 (7)	0.104 (10)	0.003 (5)	0.005 (6)	−0.040 (7)
C9T	0.050 (6)	0.062 (7)	0.117 (9)	0.003 (5)	−0.004 (6)	−0.046 (7)
C10T	0.038 (5)	0.044 (5)	0.081 (7)	0.001 (4)	−0.007 (5)	−0.028 (5)
C11T	0.039 (5)	0.058 (7)	0.081 (9)	−0.001 (5)	0.003 (6)	−0.036 (7)
C12T	0.021 (7)	0.047 (12)	0.054 (9)	0.003 (6)	−0.001 (6)	−0.016 (8)
Cl1	0.0259 (6)	0.0235 (6)	0.0313 (6)	−0.0012 (5)	0.0018 (5)	−0.0056 (5)
Cl2	0.0264 (6)	0.0239 (6)	0.0363 (6)	−0.0024 (5)	−0.0046 (5)	0.0055 (5)
O1	0.0244 (17)	0.0361 (19)	0.0227 (17)	−0.0029 (15)	0.0010 (13)	−0.0005 (14)
N1	0.023 (2)	0.022 (2)	0.025 (2)	0.0006 (16)	0.0015 (16)	0.0029 (16)
N2	0.023 (2)	0.022 (2)	0.027 (2)	0.0008 (16)	−0.0002 (16)	0.0009 (16)
N3	0.027 (2)	0.023 (2)	0.0189 (19)	0.0003 (16)	0.0008 (15)	−0.0017 (16)
N4	0.025 (2)	0.021 (2)	0.023 (2)	0.0005 (16)	−0.0006 (16)	−0.0017 (16)
C1	0.025 (2)	0.027 (3)	0.022 (2)	−0.001 (2)	−0.0013 (19)	0.0034 (19)
C2	0.018 (2)	0.029 (3)	0.027 (2)	−0.0030 (19)	−0.0002 (18)	0.000 (2)
C3	0.023 (2)	0.030 (3)	0.034 (3)	−0.001 (2)	0.003 (2)	0.006 (2)
C4	0.024 (2)	0.024 (3)	0.044 (3)	−0.001 (2)	0.001 (2)	0.005 (2)
C5	0.023 (2)	0.025 (3)	0.032 (3)	−0.003 (2)	0.003 (2)	0.000 (2)
C6	0.023 (2)	0.028 (3)	0.027 (2)	0.001 (2)	0.0004 (19)	−0.001 (2)
C7	0.028 (3)	0.034 (3)	0.032 (3)	0.003 (2)	0.000 (2)	−0.005 (2)
C8	0.024 (2)	0.029 (3)	0.037 (3)	0.006 (2)	−0.003 (2)	−0.005 (2)
C9	0.022 (2)	0.024 (3)	0.037 (3)	0.000 (2)	0.001 (2)	0.000 (2)
C10	0.036 (3)	0.024 (3)	0.034 (3)	−0.003 (2)	−0.002 (2)	−0.007 (2)
C11	0.043 (3)	0.047 (4)	0.048 (3)	−0.014 (3)	0.004 (3)	−0.015 (3)
C12	0.047 (3)	0.029 (3)	0.038 (3)	−0.002 (2)	0.007 (2)	−0.006 (2)
C13	0.048 (3)	0.037 (3)	0.037 (3)	−0.003 (3)	−0.015 (3)	−0.008 (2)
C14	0.029 (3)	0.022 (2)	0.038 (3)	0.005 (2)	−0.002 (2)	0.006 (2)
C15	0.033 (3)	0.052 (4)	0.040 (3)	0.010 (3)	−0.005 (2)	0.010 (3)
C16	0.035 (3)	0.036 (3)	0.030 (3)	0.003 (2)	−0.008 (2)	0.004 (2)
C17	0.047 (3)	0.028 (3)	0.048 (3)	0.003 (2)	0.001 (3)	0.013 (2)
C18	0.025 (3)	0.035 (3)	0.028 (3)	0.001 (2)	0.001 (2)	0.000 (2)
C19	0.030 (3)	0.042 (3)	0.032 (3)	−0.005 (2)	0.000 (2)	0.000 (2)
C20	0.039 (3)	0.048 (3)	0.038 (3)	−0.009 (3)	0.009 (2)	0.006 (3)
C21	0.039 (3)	0.052 (4)	0.026 (3)	−0.003 (3)	0.007 (2)	0.002 (2)
C22	0.032 (3)	0.045 (3)	0.025 (3)	0.004 (2)	0.004 (2)	0.000 (2)
C23	0.026 (2)	0.029 (3)	0.025 (2)	0.001 (2)	0.002 (2)	0.004 (2)
C24	0.040 (3)	0.044 (3)	0.027 (3)	−0.001 (3)	0.001 (2)	−0.006 (2)
C25	0.043 (3)	0.044 (3)	0.042 (3)	0.005 (3)	0.004 (3)	−0.013 (3)
C26	0.041 (3)	0.068 (4)	0.029 (3)	−0.003 (3)	0.006 (2)	−0.008 (3)
C27	0.034 (3)	0.030 (3)	0.029 (3)	−0.001 (2)	0.002 (2)	−0.004 (2)
C28	0.044 (3)	0.042 (3)	0.023 (3)	−0.008 (3)	−0.001 (2)	−0.006 (2)
C29	0.033 (3)	0.042 (3)	0.032 (3)	−0.002 (2)	−0.008 (2)	0.000 (2)
C30	0.030 (3)	0.030 (3)	0.030 (3)	−0.004 (2)	−0.001 (2)	−0.004 (2)
C31	0.029 (3)	0.022 (2)	0.023 (2)	0.001 (2)	−0.0007 (19)	0.0007 (19)
C32	0.032 (3)	0.020 (2)	0.024 (2)	−0.002 (2)	−0.001 (2)	−0.0032 (19)
C33	0.023 (2)	0.028 (2)	0.020 (2)	−0.0025 (19)	−0.0013 (18)	−0.0025 (19)
C34	0.021 (2)	0.022 (2)	0.029 (2)	−0.0013 (18)	0.0023 (19)	−0.0002 (19)
C35	0.022 (2)	0.025 (2)	0.028 (2)	−0.0012 (19)	−0.0010 (19)	−0.005 (2)
C36	0.026 (2)	0.023 (2)	0.036 (3)	−0.002 (2)	−0.002 (2)	−0.002 (2)
C37	0.023 (2)	0.027 (3)	0.026 (2)	−0.0018 (19)	0.0004 (19)	0.002 (2)
C38	0.025 (2)	0.022 (2)	0.023 (2)	−0.0018 (19)	0.0009 (19)	−0.0003 (19)
C39	0.026 (2)	0.026 (3)	0.026 (2)	0.000 (2)	−0.0037 (19)	0.002 (2)
C40	0.023 (2)	0.026 (3)	0.030 (3)	0.003 (2)	−0.0012 (19)	0.001 (2)
C41	0.023 (2)	0.021 (2)	0.027 (2)	−0.0002 (19)	0.0003 (19)	−0.0022 (19)
C42	0.039 (3)	0.028 (3)	0.027 (3)	−0.007 (2)	−0.001 (2)	0.002 (2)
C43	0.041 (3)	0.036 (3)	0.037 (3)	−0.009 (2)	0.001 (2)	0.011 (2)
C44	0.052 (4)	0.047 (4)	0.040 (3)	−0.016 (3)	−0.016 (3)	0.015 (3)
C45	0.078 (5)	0.039 (3)	0.034 (3)	−0.017 (3)	0.025 (3)	−0.001 (3)
C46	0.029 (3)	0.027 (3)	0.026 (2)	0.005 (2)	0.004 (2)	−0.002 (2)
C47	0.035 (3)	0.040 (3)	0.034 (3)	0.011 (2)	0.006 (2)	−0.002 (2)
C48	0.032 (3)	0.030 (3)	0.028 (3)	0.005 (2)	0.004 (2)	−0.004 (2)
C49	0.046 (3)	0.028 (3)	0.040 (3)	0.003 (2)	0.006 (3)	−0.008 (2)
C13S	0.042 (6)	0.060 (8)	0.063 (8)	0.005 (6)	0.008 (5)	−0.011 (7)
C14S	0.048 (5)	0.037 (6)	0.026 (5)	−0.009 (4)	0.000 (4)	0.003 (4)
O4S	0.030 (3)	0.038 (4)	0.033 (4)	0.001 (3)	0.003 (3)	0.003 (3)
C15S	0.050 (7)	0.050 (8)	0.110 (11)	0.007 (7)	−0.022 (7)	0.000 (8)
C16S	0.069 (11)	0.113 (16)	0.160 (18)	0.044 (11)	0.038 (12)	0.050 (14)
O5S	0.104 (9)	0.092 (7)	0.078 (7)	0.001 (7)	−0.010 (6)	0.006 (6)
C17S	0.091 (11)	0.084 (10)	0.080 (9)	−0.011 (7)	−0.001 (8)	0.021 (8)
C18S	0.089 (11)	0.079 (9)	0.067 (8)	−0.002 (9)	0.000 (8)	−0.004 (8)
C19S	0.113 (14)	0.074 (8)	0.069 (8)	0.005 (11)	0.015 (9)	0.007 (7)
C20S	0.097 (11)	0.082 (8)	0.091 (9)	−0.009 (9)	−0.024 (9)	0.001 (7)

Geometric parameters (Å, º)

Cr1—N1	2.000 (4)	C1—C18	1.498 (7)
Cr1—N2	2.002 (4)	C2—C3	1.419 (7)
Cr1—Cl2	2.4170 (14)	C3—C4	1.384 (7)
Cr1—Cl1	2.4200 (14)	C3—H3	1.0000
Cr1—K2	3.888 (10)	C4—C5	1.395 (7)
Cr1—K2'	3.983 (7)	C4—H4	1.0000
Cr2—N4	2.001 (4)	C5—C10	1.518 (7)
Cr2—N3	2.005 (4)	C6—C7	1.398 (7)
Cr2—Cl1	2.4105 (14)	C7—C8	1.401 (7)
Cr2—Cl2	2.4274 (14)	C7—H7A	1.0000
K1—O1S	2.668 (8)	C7—H7B	1.0000
K1—O1T	2.672 (13)	C8—C9	1.397 (7)
K1—O2T	2.860 (15)	C8—H8A	1.0000
K1—O2S	2.877 (5)	C8—H8B	1.0000
K1—C3	2.987 (5)	C9—C14	1.529 (7)
K1—C39	3.074 (5)	C10—C13	1.529 (7)
K1—C40	3.077 (5)	C10—C12	1.541 (7)
K1—C41	3.171 (5)	C10—C11	1.546 (7)
K1—C4	3.199 (5)	C11—H11E	0.9800
K1—C38	3.199 (5)	C11—H11F	0.9800
K1—C2	3.203 (5)	C11—H11G	0.9800
K1—N3	3.218 (4)	C12—H12E	0.9800
O1S—C1S	1.416 (15)	C12—H12F	0.9800
O1S—C4S	1.447 (13)	C12—H12G	0.9800
C1S—C2S	1.476 (14)	C13—H13A	0.9800
C1S—H1SA	0.9900	C13—H13B	0.9800
C1S—H1SB	0.9900	C13—H13C	0.9800
C2S—C3S	1.487 (19)	C14—C16	1.521 (7)
C2S—H2SA	0.9900	C14—C17	1.538 (7)
C2S—H2SB	0.9900	C14—C15	1.547 (7)
C3S—C4S	1.511 (12)	C15—H15A	0.9800
C3S—H3SA	0.9900	C15—H15B	0.9800
C3S—H3SB	0.9900	C15—H15C	0.9800
C4S—H4SA	0.9900	C16—H16A	0.9800
C4S—H4SB	0.9900	C16—H16B	0.9800
O1T—C1T	1.411 (18)	C16—H16C	0.9800
O1T—C4T	1.451 (15)	C17—H17A	0.9800
C1T—C2T	1.509 (17)	C17—H17B	0.9800
C1T—H1TA	0.9900	C17—H17C	0.9800
C1T—H1TB	0.9900	C18—C23	1.388 (7)
C2T—C3T	1.49 (2)	C18—C19	1.388 (7)
C2T—H2TA	0.9900	C19—C20	1.381 (7)
C2T—H2TB	0.9900	C19—H19	0.9500
C3T—C4T	1.513 (16)	C20—C21	1.391 (8)
C3T—H3TA	0.9900	C20—H20	0.9500
C3T—H3TB	0.9900	C21—C22	1.398 (8)
C4T—H4TA	0.9900	C21—H21	0.9500
C4T—H4TB	0.9900	C22—C23	1.401 (7)
O2S—C8S	1.442 (10)	C22—C24	1.530 (8)
O2S—C5S	1.444 (10)	C24—C27	1.513 (7)
C5S—C6S	1.500 (14)	C24—C26	1.525 (7)
C5S—H5SA	0.9900	C24—C25	1.557 (8)
C5S—H5SB	0.9900	C25—H25A	0.9800
C6S—C7S	1.547 (13)	C25—H25B	0.9800
C6S—H6SA	0.9900	C25—H25C	0.9800
C6S—H6SB	0.9900	C26—H26A	0.9800
C7S—C8S	1.525 (10)	C26—H26B	0.9800
C7S—H7SA	0.9900	C26—H26C	0.9800
C7S—H7SB	0.9900	C27—C28	1.382 (7)
C8S—H8SA	0.9900	C27—C32	1.413 (7)
C8S—H8SB	0.9900	C28—C29	1.367 (8)
O2T—C5T	1.43 (2)	C28—H28	0.9500
O2T—C8T	1.434 (19)	C29—C30	1.389 (7)
C5T—C6T	1.51 (2)	C29—H29	0.9500
C5T—H5TA	0.9900	C30—C31	1.389 (7)
C5T—H5TB	0.9900	C30—H30	0.9500
C6T—C7T	1.54 (2)	C31—C32	1.394 (7)
C6T—H6TA	0.9900	C31—C33	1.491 (6)
C6T—H6TB	0.9900	C33—C34	1.422 (7)
C7T—C8T	1.52 (2)	C33—C38	1.430 (6)
C7T—H7TA	0.9900	C34—C35	1.416 (7)
C7T—H7TB	0.9900	C35—C36	1.415 (7)
C8T—H8TA	0.9900	C35—H35	1.0000
C8T—H8TB	0.9900	C35—H35A	1.0000
K2—O3S	2.653 (19)	C36—C37	1.384 (7)
K2—C7	2.904 (10)	C36—H36	1.0000
K2—C6	2.936 (10)	C36—H36A	1.0000
K2—C35	2.938 (11)	C37—C42	1.516 (7)
K2—C34	3.038 (11)	C38—C39	1.404 (7)
K2—C8	3.067 (11)	C39—C40	1.403 (7)
K2—N2	3.081 (10)	C39—H39	1.0000
K2—C9	3.183 (11)	C40—C41	1.397 (7)
K2—O1	3.183 (7)	C40—H40	1.0000
K2—Cl2	3.276 (10)	C41—C46	1.519 (6)
K2—C36	3.293 (11)	C42—C45	1.524 (8)
K2—N4	3.396 (11)	C42—C43	1.529 (7)
O3S—C12S	1.416 (16)	C42—C44	1.533 (8)
O3S—C9S	1.458 (14)	C43—H43A	0.9800
C9S—C10S	1.446 (15)	C43—H43B	0.9800
C9S—H9SA	0.9900	C43—H43C	0.9800
C9S—H9SB	0.9900	C44—H44A	0.9800
C10S—C11S	1.535 (17)	C44—H44B	0.9800
C10S—H10A	0.9900	C44—H44C	0.9800
C10S—H10B	0.9900	C45—H45A	0.9800
C11S—C12S	1.54 (2)	C45—H45B	0.9800
C11S—H11A	0.9900	C45—H45C	0.9800
C11S—H11B	0.9900	C46—C48	1.523 (7)
C12S—H12A	0.9900	C46—C47	1.542 (7)
C12S—H12B	0.9900	C46—C49	1.561 (7)
K2'—O3T	2.594 (14)	C47—H47A	0.9800
K2'—C35	3.009 (8)	C47—H47B	0.9800
K2'—Cl2	3.103 (7)	C47—H47C	0.9800
K2'—C8	3.139 (8)	C48—H48A	0.9800
K2'—C36	3.147 (8)	C48—H48B	0.9800
K2'—C9	3.170 (8)	C48—H48C	0.9800
K2'—C7	3.181 (9)	C49—H49A	0.9800
K2'—C34	3.181 (8)	C49—H49B	0.9800
K2'—O5S^i	3.193 (16)	C49—H49C	0.9800
K2'—N2	3.206 (8)	C13S—C14S	1.534 (15)
K2'—C6	3.243 (9)	C13S—H13D	0.9800
K2'—N4	3.373 (8)	C13S—H13E	0.9800
O3T—C12T	1.417 (14)	C13S—H13F	0.9800
O3T—C9T	1.455 (13)	C14S—O4S	1.391 (11)
C9T—C10T	1.471 (13)	C14S—H14A	0.9900
C9T—H9TA	0.9900	C14S—H14B	0.9900
C9T—H9TB	0.9900	O4S—C15S	1.371 (14)
C10T—C11T	1.534 (15)	C15S—C16S	1.57 (2)
C10T—H10C	0.9900	C15S—H15D	0.9900
C10T—H10D	0.9900	C15S—H15E	0.9900
C11T—C12T	1.535 (16)	C16S—H16D	0.9800
C11T—H11C	0.9900	C16S—H16E	0.9800
C11T—H11D	0.9900	C16S—H16F	0.9800
C12T—H12C	0.9900	O5S—C17S	1.494 (17)
C12T—H12D	0.9900	O5S—C20S	1.508 (17)
O1—C23	1.395 (6)	C17S—C18S	1.51 (2)
O1—C32	1.405 (6)	C17S—H17D	0.9900
N1—C5	1.378 (6)	C17S—H17E	0.9900
N1—C2	1.408 (6)	C18S—C19S	1.54 (3)
N2—C9	1.381 (6)	C18S—H18A	0.9900
N2—C6	1.399 (6)	C18S—H18B	0.9900
N3—C41	1.375 (6)	C19S—C20S	1.52 (2)
N3—C38	1.413 (6)	C19S—H19A	0.9900
N4—C37	1.389 (6)	C19S—H19B	0.9900
N4—C34	1.396 (6)	C20S—H20A	0.9900
C1—C2	1.428 (7)	C20S—H20B	0.9900
C1—C6	1.447 (7)
N1—Cr1—N2	88.81 (16)	H11C—C11T—H11D	109.6
N1—Cr1—Cl2	169.13 (12)	O3T—C12T—C11T	106.1 (9)
N2—Cr1—Cl2	93.93 (12)	O3T—C12T—H12C	110.5
N1—Cr1—Cl1	91.66 (11)	C11T—C12T—H12C	110.5
N2—Cr1—Cl1	163.96 (12)	O3T—C12T—H12D	110.5
Cl2—Cr1—Cl1	82.83 (5)	C11T—C12T—H12D	110.5
N1—Cr1—K2	118.01 (15)	H12C—C12T—H12D	108.7
N2—Cr1—K2	51.78 (18)	Cr2—Cl1—Cr1	84.34 (4)
Cl2—Cr1—K2	57.04 (11)	Cr2—Cl1—K1	91.02 (4)
Cl1—Cr1—K2	114.78 (15)	Cr1—Cl1—K1	93.85 (4)
N1—Cr1—K2'	124.53 (17)	Cr1—Cl2—Cr2	84.05 (4)
N2—Cr1—K2'	53.02 (15)	Cr1—Cl2—K2'	91.52 (16)
Cl2—Cr1—K2'	51.14 (13)	Cr2—Cl2—K2'	93.38 (15)
Cl1—Cr1—K2'	114.90 (10)	Cr1—Cl2—K2	84.71 (14)
N4—Cr2—N3	89.43 (15)	Cr2—Cl2—K2	88.24 (16)
N4—Cr2—Cl1	168.02 (12)	C23—O1—C32	115.2 (3)
N3—Cr2—Cl1	92.90 (11)	C23—O1—K2	123.3 (3)
N4—Cr2—Cl2	91.85 (11)	C32—O1—K2	117.3 (3)
N3—Cr2—Cl2	164.49 (12)	C5—N1—C2	107.1 (4)
Cl1—Cr2—Cl2	82.81 (5)	C5—N1—Cr1	133.8 (3)
O1T—K1—O2T	86.8 (10)	C2—N1—Cr1	112.1 (3)
O1S—K1—O2S	75.7 (5)	C9—N2—C6	106.5 (4)
O1S—K1—C3	100.1 (4)	C9—N2—Cr1	138.0 (3)
O1T—K1—C3	107.9 (5)	C6—N2—Cr1	112.8 (3)
O2T—K1—C3	75.4 (9)	C9—N2—K2	81.4 (3)
O2S—K1—C3	75.7 (2)	C6—N2—K2	70.9 (3)
O1S—K1—C39	107.1 (3)	Cr1—N2—K2	97.5 (2)
O1T—K1—C39	101.0 (5)	C9—N2—K2'	76.0 (3)
O2T—K1—C39	71.7 (7)	C6—N2—K2'	79.0 (3)
O2S—K1—C39	76.4 (2)	Cr1—N2—K2'	97.06 (18)
C3—K1—C39	134.27 (14)	C41—N3—C38	106.7 (4)
O1S—K1—C40	88.5 (3)	C41—N3—Cr2	137.6 (3)
O1T—K1—C40	81.2 (4)	C38—N3—Cr2	113.2 (3)
O2T—K1—C40	87.7 (9)	C41—N3—K1	75.7 (2)
O2S—K1—C40	89.2 (2)	C38—N3—K1	76.6 (2)
C3—K1—C40	159.96 (14)	Cr2—N3—K1	99.75 (14)
C39—K1—C40	26.36 (13)	C37—N4—C34	107.1 (4)
O1S—K1—C41	98.8 (4)	C37—N4—Cr2	135.8 (3)
O1T—K1—C41	91.1 (5)	C34—N4—Cr2	111.3 (3)
O2T—K1—C41	112.1 (8)	C37—N4—K2'	78.7 (3)
O2S—K1—C41	114.6 (2)	C34—N4—K2'	70.1 (3)
C3—K1—C41	160.22 (13)	Cr2—N4—K2'	94.36 (17)
C39—K1—C41	42.33 (12)	C37—N4—K2	85.6 (3)
C40—K1—C41	25.79 (12)	C34—N4—K2	63.4 (3)
O1S—K1—C4	84.5 (3)	Cr2—N4—K2	92.5 (2)
O1T—K1—C4	91.7 (4)	C2—C1—C6	124.2 (4)
O2T—K1—C4	93.7 (8)	C2—C1—C18	118.8 (4)
O2S—K1—C4	91.2 (2)	C6—C1—C18	114.6 (4)
C3—K1—C4	25.56 (13)	N1—C2—C3	108.2 (4)
C39—K1—C4	159.82 (13)	N1—C2—C1	122.0 (4)
C40—K1—C4	172.74 (13)	C3—C2—C1	129.5 (4)
C41—K1—C4	154.14 (13)	N1—C2—K1	89.7 (3)
O1S—K1—C38	130.3 (3)	C3—C2—K1	68.4 (3)
O1T—K1—C38	123.3 (4)	C1—C2—K1	113.8 (3)
O2T—K1—C38	87.5 (6)	C4—C3—C2	106.8 (4)
O2S—K1—C38	94.37 (19)	C4—C3—K1	85.8 (3)
C3—K1—C38	124.79 (13)	C2—C3—K1	85.4 (3)
C39—K1—C38	25.77 (12)	C4—C3—H3	122.6
C40—K1—C38	42.14 (12)	C2—C3—H3	122.6
C41—K1—C38	41.10 (12)	K1—C3—H3	122.6
C4—K1—C38	144.99 (13)	C3—C4—C5	108.7 (4)
O1S—K1—C2	124.6 (3)	C3—C4—K1	68.6 (3)
O1T—K1—C2	132.2 (4)	C5—C4—K1	90.5 (3)
O2T—K1—C2	88.6 (9)	C3—C4—H4	123.9
O2S—K1—C2	92.2 (2)	C5—C4—H4	123.9
C3—K1—C2	26.20 (13)	K1—C4—H4	123.9
C39—K1—C2	122.36 (13)	N1—C5—C4	109.1 (4)
C40—K1—C2	146.08 (13)	N1—C5—C10	122.7 (4)
C41—K1—C2	134.04 (12)	C4—C5—C10	128.0 (4)
C4—K1—C2	41.16 (12)	N1—C5—K1	78.2 (3)
C38—K1—C2	104.01 (12)	C4—C5—K1	66.0 (3)
O1S—K1—N3	123.7 (4)	C10—C5—K1	126.0 (3)
O1T—K1—N3	115.9 (5)	C7—C6—N2	109.6 (4)
O2T—K1—N3	112.0 (6)	C7—C6—C1	127.1 (4)
O2S—K1—N3	118.1 (2)	N2—C6—C1	122.8 (4)
C3—K1—N3	135.73 (12)	C7—C6—K2	74.9 (3)
C39—K1—N3	42.56 (11)	N2—C6—K2	82.4 (3)
C40—K1—N3	42.22 (11)	C1—C6—K2	117.0 (3)
C41—K1—N3	24.84 (11)	C7—C6—K2'	74.9 (3)
C4—K1—N3	142.29 (12)	N2—C6—K2'	76.0 (3)
C38—K1—N3	25.43 (10)	C1—C6—K2'	122.7 (3)
C2—K1—N3	109.91 (11)	C6—C7—C8	106.6 (4)
C1S—O1S—C4S	110.2 (10)	C6—C7—K2	77.4 (3)
C1S—O1S—K1	119.5 (9)	C8—C7—K2	83.0 (3)
C4S—O1S—K1	115.4 (13)	C6—C7—K2'	79.9 (3)
O1S—C1S—C2S	107.5 (9)	C8—C7—K2'	75.5 (3)
O1S—C1S—H1SA	110.2	C6—C7—H7A	124.6
C2S—C1S—H1SA	110.2	C8—C7—H7A	124.6
O1S—C1S—H1SB	110.2	K2—C7—H7A	124.6
C2S—C1S—H1SB	110.2	C6—C7—H7B	125.4
H1SA—C1S—H1SB	108.5	C8—C7—H7B	125.4
C1S—C2S—C3S	107.4 (11)	K2'—C7—H7B	125.4
C1S—C2S—H2SA	110.2	C9—C8—C7	107.8 (4)
C3S—C2S—H2SA	110.2	C9—C8—K2	81.7 (3)
C1S—C2S—H2SB	110.2	C7—C8—K2	70.0 (3)
C3S—C2S—H2SB	110.2	C9—C8—K2'	78.5 (3)
H2SA—C2S—H2SB	108.5	C7—C8—K2'	78.9 (3)
C2S—C3S—C4S	105.4 (11)	C9—C8—H8A	125.3
C2S—C3S—H3SA	110.7	C7—C8—H8A	125.3
C4S—C3S—H3SA	110.7	K2—C8—H8A	125.3
C2S—C3S—H3SB	110.7	C9—C8—H8B	124.6
C4S—C3S—H3SB	110.7	C7—C8—H8B	124.6
H3SA—C3S—H3SB	108.8	K2'—C8—H8B	124.6
O1S—C4S—C3S	107.1 (11)	N2—C9—C8	109.4 (4)
O1S—C4S—K1	42.9 (10)	N2—C9—C14	124.0 (4)
C3S—C4S—K1	139 (2)	C8—C9—C14	126.5 (4)
O1S—C4S—H4SA	110.3	N2—C9—K2'	79.0 (3)
C3S—C4S—H4SA	110.3	C8—C9—K2'	76.0 (3)
K1—C4S—H4SA	71.4	C14—C9—K2'	114.7 (3)
O1S—C4S—H4SB	110.3	N2—C9—K2	73.2 (3)
C3S—C4S—H4SB	110.3	C8—C9—K2	72.5 (3)
K1—C4S—H4SB	107.3	C14—C9—K2	123.3 (3)
H4SA—C4S—H4SB	108.6	C5—C10—C13	112.2 (4)
C1T—O1T—C4T	109.5 (13)	C5—C10—C12	110.5 (4)
C1T—O1T—K1	126.7 (13)	C13—C10—C12	109.7 (4)
C4T—O1T—K1	120 (2)	C5—C10—C11	107.9 (4)
O1T—C1T—C2T	107.2 (12)	C13—C10—C11	108.0 (4)
O1T—C1T—H1TA	110.3	C12—C10—C11	108.4 (4)
C2T—C1T—H1TA	110.3	C10—C11—H11E	109.5
O1T—C1T—H1TB	110.3	C10—C11—H11F	109.5
C2T—C1T—H1TB	110.3	H11E—C11—H11F	109.5
H1TA—C1T—H1TB	108.5	C10—C11—H11G	109.5
C3T—C2T—C1T	106.9 (12)	H11E—C11—H11G	109.5
C3T—C2T—H2TA	110.3	H11F—C11—H11G	109.5
C1T—C2T—H2TA	110.3	C10—C12—H12E	109.5
C3T—C2T—H2TB	110.3	C10—C12—H12F	109.5
C1T—C2T—H2TB	110.3	H12E—C12—H12F	109.5
H2TA—C2T—H2TB	108.6	C10—C12—H12G	109.5
C2T—C3T—C4T	104.0 (19)	H12E—C12—H12G	109.5
C2T—C3T—H3TA	111.0	H12F—C12—H12G	109.5
C4T—C3T—H3TA	111.0	C10—C13—H13A	109.5
C2T—C3T—H3TB	111.0	C10—C13—H13B	109.5
C4T—C3T—H3TB	111.0	H13A—C13—H13B	109.5
H3TA—C3T—H3TB	109.0	C10—C13—H13C	109.5
O1T—C4T—C3T	105.7 (12)	H13A—C13—H13C	109.5
O1T—C4T—H4TA	110.6	H13B—C13—H13C	109.5
C3T—C4T—H4TA	110.6	C16—C14—C9	112.3 (4)
O1T—C4T—H4TB	110.6	C16—C14—C17	109.8 (4)
C3T—C4T—H4TB	110.6	C9—C14—C17	110.3 (4)
H4TA—C4T—H4TB	108.7	C16—C14—C15	108.1 (4)
C8S—O2S—C5S	103.3 (6)	C9—C14—C15	107.5 (4)
C8S—O2S—K1	103.6 (4)	C17—C14—C15	108.7 (4)
C5S—O2S—K1	152.9 (5)	C14—C15—H15A	109.5
O2S—C5S—C6S	107.6 (8)	C14—C15—H15B	109.5
O2S—C5S—H5SA	110.2	H15A—C15—H15B	109.5
C6S—C5S—H5SA	110.2	C14—C15—H15C	109.5
O2S—C5S—H5SB	110.2	H15A—C15—H15C	109.5
C6S—C5S—H5SB	110.2	H15B—C15—H15C	109.5
H5SA—C5S—H5SB	108.5	C14—C16—H16A	109.5
C5S—C6S—C7S	104.2 (8)	C14—C16—H16B	109.5
C5S—C6S—H6SA	110.9	H16A—C16—H16B	109.5
C7S—C6S—H6SA	110.9	C14—C16—H16C	109.5
C5S—C6S—H6SB	110.9	H16A—C16—H16C	109.5
C7S—C6S—H6SB	110.9	H16B—C16—H16C	109.5
H6SA—C6S—H6SB	108.9	C14—C17—H17A	109.5
C8S—C7S—C6S	103.0 (8)	C14—C17—H17B	109.5
C8S—C7S—H7SA	111.2	H17A—C17—H17B	109.5
C6S—C7S—H7SA	111.2	C14—C17—H17C	109.5
C8S—C7S—H7SB	111.2	H17A—C17—H17C	109.5
C6S—C7S—H7SB	111.2	H17B—C17—H17C	109.5
H7SA—C7S—H7SB	109.1	C23—C18—C19	117.5 (5)
O2S—C8S—C7S	105.6 (7)	C23—C18—C1	122.9 (4)
O2S—C8S—K1	52.8 (3)	C19—C18—C1	119.5 (4)
C7S—C8S—K1	140.6 (5)	C20—C19—C18	121.4 (5)
O2S—C8S—H8SA	110.6	C20—C19—H19	119.3
C7S—C8S—H8SA	110.6	C18—C19—H19	119.3
K1—C8S—H8SA	108.2	C19—C20—C21	120.5 (5)
O2S—C8S—H8SB	110.6	C19—C20—H20	119.7
C7S—C8S—H8SB	110.6	C21—C20—H20	119.7
K1—C8S—H8SB	61.7	C20—C21—C22	119.5 (5)
H8SA—C8S—H8SB	108.8	C20—C21—H21	120.2
C5T—O2T—C8T	105.9 (16)	C22—C21—H21	120.2
C5T—O2T—K1	111.7 (16)	C21—C22—C23	118.4 (5)
C8T—O2T—K1	142.3 (18)	C21—C22—C24	123.1 (5)
O2T—C5T—C6T	105.7 (18)	C23—C22—C24	118.4 (5)
O2T—C5T—H5TA	110.6	C18—C23—O1	118.2 (4)
C6T—C5T—H5TA	110.6	C18—C23—C22	122.4 (5)
O2T—C5T—H5TB	110.6	O1—C23—C22	119.4 (4)
C6T—C5T—H5TB	110.6	C27—C24—C26	111.8 (5)
H5TA—C5T—H5TB	108.7	C27—C24—C22	106.9 (4)
C5T—C6T—C7T	103.9 (19)	C26—C24—C22	112.6 (5)
C5T—C6T—H6TA	111.0	C27—C24—C25	109.0 (5)
C7T—C6T—H6TA	111.0	C26—C24—C25	108.8 (5)
C5T—C6T—H6TB	111.0	C22—C24—C25	107.5 (4)
C7T—C6T—H6TB	111.0	C24—C25—H25A	109.5
H6TA—C6T—H6TB	109.0	C24—C25—H25B	109.5
C8T—C7T—C6T	104.1 (19)	H25A—C25—H25B	109.5
C8T—C7T—H7TA	110.9	C24—C25—H25C	109.5
C6T—C7T—H7TA	110.9	H25A—C25—H25C	109.5
C8T—C7T—H7TB	110.9	H25B—C25—H25C	109.5
C6T—C7T—H7TB	110.9	C24—C26—H26A	109.5
H7TA—C7T—H7TB	108.9	C24—C26—H26B	109.5
O2T—C8T—C7T	107.7 (18)	H26A—C26—H26B	109.5
O2T—C8T—H8TA	110.2	C24—C26—H26C	109.5
C7T—C8T—H8TA	110.2	H26A—C26—H26C	109.5
O2T—C8T—H8TB	110.2	H26B—C26—H26C	109.5
C7T—C8T—H8TB	110.2	C28—C27—C32	117.4 (5)
H8TA—C8T—H8TB	108.5	C28—C27—C24	124.9 (5)
O3S—K2—C7	88.9 (7)	C32—C27—C24	117.7 (4)
O3S—K2—C6	116.3 (7)	C29—C28—C27	121.8 (5)
C7—K2—C6	27.69 (16)	C29—C28—H28	119.1
O3S—K2—C35	85.5 (6)	C27—C28—H28	119.1
C7—K2—C35	143.7 (3)	C28—C29—C30	119.6 (5)
C6—K2—C35	135.8 (3)	C28—C29—H29	120.2
O3S—K2—C34	112.2 (6)	C30—C29—H29	120.2
C7—K2—C34	134.1 (2)	C31—C30—C29	121.7 (5)
C6—K2—C34	114.0 (3)	C31—C30—H30	119.1
C35—K2—C34	27.34 (15)	C29—C30—H30	119.1
O3S—K2—C8	84.3 (6)	C30—C31—C32	117.1 (4)
C7—K2—C8	26.96 (16)	C30—C31—C33	119.4 (4)
C6—K2—C8	43.83 (19)	C32—C31—C33	123.4 (4)
C35—K2—C8	166.2 (4)	C31—C32—O1	117.7 (4)
C34—K2—C8	157.8 (3)	C31—C32—C27	122.3 (4)
O3S—K2—N2	127.5 (6)	O1—C32—C27	120.0 (4)
C7—K2—N2	44.77 (18)	C34—C33—C38	124.3 (4)
C6—K2—N2	26.75 (14)	C34—C33—C31	115.7 (4)
C35—K2—N2	145.3 (3)	C38—C33—C31	117.0 (4)
C34—K2—N2	118.0 (3)	N4—C34—C35	109.2 (4)
C8—K2—N2	43.28 (18)	N4—C34—C33	123.6 (4)
O3S—K2—C9	106.2 (6)	C35—C34—C33	126.9 (4)
C7—K2—C9	43.31 (19)	N4—C34—K2	92.4 (3)
C6—K2—C9	42.46 (18)	C35—C34—K2	72.4 (3)
C35—K2—C9	167.5 (4)	C33—C34—K2	108.8 (3)
C34—K2—C9	141.5 (4)	N4—C34—K2'	85.5 (3)
C8—K2—C9	25.74 (15)	C35—C34—K2'	70.1 (3)
N2—K2—C9	25.41 (14)	C33—C34—K2'	116.9 (3)
O3S—K2—O1	98.0 (6)	C36—C35—C34	105.9 (4)
C7—K2—O1	69.58 (18)	C36—C35—K2	91.4 (3)
C6—K2—O1	64.00 (16)	C34—C35—K2	80.3 (3)
C35—K2—O1	75.7 (2)	C36—C35—K2'	82.2 (3)
C34—K2—O1	67.42 (19)	C34—C35—K2'	83.7 (3)
C8—K2—O1	96.5 (2)	C36—C35—H35	122.8
N2—K2—O1	88.0 (2)	C34—C35—H35	122.8
C9—K2—O1	106.1 (2)	K2—C35—H35	122.8
O3S—K2—Cl2	146.5 (6)	C36—C35—H35A	123.9
C7—K2—Cl2	106.0 (3)	C34—C35—H35A	123.9
C6—K2—Cl2	84.0 (3)	K2'—C35—H35A	123.9
C35—K2—Cl2	98.1 (3)	C37—C36—C35	108.4 (4)
C34—K2—Cl2	79.0 (2)	C37—C36—K2'	87.7 (3)
C8—K2—Cl2	95.5 (3)	C35—C36—K2'	71.3 (3)
N2—K2—Cl2	61.2 (2)	C37—C36—K2	89.8 (3)
C9—K2—Cl2	69.8 (2)	C35—C36—K2	63.1 (3)
O1—K2—Cl2	115.2 (3)	C37—C36—H36	124.8
O3S—K2—C36	84.4 (6)	C35—C36—H36	124.8
C7—K2—C36	167.6 (3)	K2—C36—H36	124.8
C6—K2—C36	155.0 (3)	C37—C36—H36A	124.1
C35—K2—C36	25.45 (15)	C35—C36—H36A	124.1
C34—K2—C36	41.56 (18)	K2'—C36—H36A	124.1
C8—K2—C36	160.3 (3)	C36—C37—N4	109.3 (4)
N2—K2—C36	145.6 (4)	C36—C37—C42	127.8 (4)
C9—K2—C36	148.9 (3)	N4—C37—C42	122.7 (4)
O1—K2—C36	101.0 (3)	C36—C37—K2'	68.2 (3)
Cl2—K2—C36	85.2 (2)	N4—C37—K2'	77.6 (3)
O3S—K2—N4	123.3 (6)	C42—C37—K2'	124.4 (3)
C7—K2—N4	143.8 (3)	C39—C38—N3	108.6 (4)
C6—K2—N4	116.9 (3)	C39—C38—C33	128.7 (4)
C35—K2—N4	41.64 (17)	N3—C38—C33	122.4 (4)
C34—K2—N4	24.25 (13)	C39—C38—K1	72.1 (3)
C8—K2—N4	151.1 (4)	N3—C38—K1	78.0 (2)
N2—K2—N4	108.9 (3)	C33—C38—K1	121.5 (3)
C9—K2—N4	125.9 (3)	C40—C39—C38	107.2 (4)
O1—K2—N4	88.3 (2)	C40—C39—K1	76.9 (3)
Cl2—K2—N4	57.19 (17)	C38—C39—K1	82.1 (3)
C36—K2—N4	39.49 (16)	C40—C39—H39	124.6
C12S—O3S—C9S	108.9 (12)	C38—C39—H39	124.6
C12S—O3S—K2	120.1 (13)	K1—C39—H39	124.6
C9S—O3S—K2	131.0 (12)	C41—C40—C39	107.4 (4)
C10S—C9S—O3S	105.5 (11)	C41—C40—K1	80.9 (3)
C10S—C9S—H9SA	110.6	C39—C40—K1	76.7 (3)
O3S—C9S—H9SA	110.7	C41—C40—H40	124.8
C10S—C9S—H9SB	110.6	C39—C40—H40	124.8
O3S—C9S—H9SB	110.6	K1—C40—H40	124.8
H9SA—C9S—H9SB	108.8	N3—C41—C40	110.0 (4)
C9S—C10S—C11S	104.7 (12)	N3—C41—C46	123.6 (4)
C9S—C10S—H10A	110.8	C40—C41—C46	126.4 (4)
C11S—C10S—H10A	110.8	N3—C41—K1	79.5 (2)
C9S—C10S—H10B	110.8	C40—C41—K1	73.3 (3)
C11S—C10S—H10B	110.8	C46—C41—K1	117.3 (3)
H10A—C10S—H10B	108.9	C37—C42—C45	111.3 (4)
C10S—C11S—C12S	98 (2)	C37—C42—C43	108.1 (4)
C10S—C11S—H11A	112.3	C45—C42—C43	108.5 (5)
C12S—C11S—H11A	112.3	C37—C42—C44	111.3 (4)
C10S—C11S—H11B	112.3	C45—C42—C44	109.3 (5)
C12S—C11S—H11B	112.3	C43—C42—C44	108.2 (4)
H11A—C11S—H11B	109.9	C42—C43—H43A	109.5
O3S—C12S—C11S	106.3 (13)	C42—C43—H43B	109.5
O3S—C12S—H12A	110.5	H43A—C43—H43B	109.5
C11S—C12S—H12A	110.5	C42—C43—H43C	109.5
O3S—C12S—H12B	110.5	H43A—C43—H43C	109.5
C11S—C12S—H12B	110.5	H43B—C43—H43C	109.5
H12A—C12S—H12B	108.7	C42—C44—H44A	109.5
O3T—K2'—C35	87.2 (4)	C42—C44—H44B	109.5
O3T—K2'—Cl2	156.5 (5)	H44A—C44—H44B	109.5
C35—K2'—Cl2	100.5 (2)	C42—C44—H44C	109.5
O3T—K2'—C8	84.6 (5)	H44A—C44—H44C	109.5
C35—K2'—C8	151.8 (3)	H44B—C44—H44C	109.5
Cl2—K2'—C8	97.7 (2)	C42—C45—H45A	109.5
O3T—K2'—C36	86.5 (5)	C42—C45—H45B	109.5
C35—K2'—C36	26.46 (14)	H45A—C45—H45B	109.5
Cl2—K2'—C36	90.7 (2)	C42—C45—H45C	109.5
C8—K2'—C36	171.1 (3)	H45A—C45—H45C	109.5
O3T—K2'—C9	106.9 (5)	H45B—C45—H45C	109.5
C35—K2'—C9	160.0 (3)	C41—C46—C48	112.3 (4)
Cl2—K2'—C9	72.19 (17)	C41—C46—C47	107.7 (4)
C8—K2'—C9	25.57 (14)	C48—C46—C47	108.3 (4)
C36—K2'—C9	162.0 (3)	C41—C46—C49	111.0 (4)
O3T—K2'—C7	88.5 (5)	C48—C46—C49	110.2 (4)
C35—K2'—C7	127.5 (3)	C47—C46—C49	107.1 (4)
Cl2—K2'—C7	103.6 (2)	C46—C47—H47A	109.5
C8—K2'—C7	25.61 (14)	C46—C47—H47B	109.5
C36—K2'—C7	153.7 (3)	H47A—C47—H47B	109.5
C9—K2'—C7	41.71 (16)	C46—C47—H47C	109.5
O3T—K2'—C34	112.5 (4)	H47A—C47—H47C	109.5
C35—K2'—C34	26.26 (13)	H47B—C47—H47C	109.5
Cl2—K2'—C34	79.51 (18)	C46—C48—H48A	109.5
C8—K2'—C34	142.9 (3)	C46—C48—H48B	109.5
C36—K2'—C34	41.83 (15)	H48A—C48—H48B	109.5
C9—K2'—C34	135.3 (3)	C46—C48—H48C	109.5
C7—K2'—C34	118.6 (3)	H48A—C48—H48C	109.5
O3T—K2'—O5S^i	62.9 (5)	H48B—C48—H48C	109.5
C35—K2'—O5S^i	98.1 (3)	C46—C49—H49A	109.5
Cl2—K2'—O5S^i	93.9 (3)	C46—C49—H49B	109.5
C8—K2'—O5S^i	102.0 (3)	H49A—C49—H49B	109.5
C36—K2'—O5S^i	74.2 (3)	C46—C49—H49C	109.5
C9—K2'—O5S^i	101.0 (3)	H49A—C49—H49C	109.5
C7—K2'—O5S^i	125.6 (3)	H49B—C49—H49C	109.5
C34—K2'—O5S^i	115.1 (3)	C14S—C13S—H13D	109.5
O3T—K2'—N2	126.1 (5)	C14S—C13S—H13E	109.5
C35—K2'—N2	135.2 (3)	H13D—C13S—H13E	109.5
Cl2—K2'—N2	61.82 (14)	C14S—C13S—H13F	109.5
C8—K2'—N2	41.86 (14)	H13D—C13S—H13F	109.5
C36—K2'—N2	146.9 (3)	H13E—C13S—H13F	109.5
C9—K2'—N2	25.01 (12)	O4S—C14S—C13S	108.6 (8)
C7—K2'—N2	41.92 (15)	O4S—C14S—H14A	110.0
C34—K2'—N2	110.4 (2)	C13S—C14S—H14A	110.0
O5S^i—K2'—N2	122.5 (3)	O4S—C14S—H14B	110.0
O3T—K2'—C6	113.1 (5)	C13S—C14S—H14B	110.0
C35—K2'—C6	121.0 (3)	H14A—C14S—H14B	108.4
Cl2—K2'—C6	81.98 (18)	C15S—O4S—C14S	102.9 (11)
C8—K2'—C6	41.13 (15)	O4S—C15S—C16S	106.0 (14)
C36—K2'—C6	144.3 (3)	O4S—C15S—H15D	110.5
C9—K2'—C6	40.63 (15)	C16S—C15S—H15D	110.5
C7—K2'—C6	25.11 (14)	O4S—C15S—H15E	110.5
C34—K2'—C6	102.5 (3)	C16S—C15S—H15E	110.5
O5S^i—K2'—C6	140.8 (3)	H15D—C15S—H15E	108.7
N2—K2'—C6	25.05 (12)	C15S—C16S—H16D	109.5
O3T—K2'—N4	125.8 (5)	C15S—C16S—H16E	109.5
C35—K2'—N4	41.60 (14)	H16D—C16S—H16E	109.5
Cl2—K2'—N4	58.96 (13)	C15S—C16S—H16F	109.5
C8—K2'—N4	148.0 (3)	H16D—C16S—H16F	109.5
C36—K2'—N4	40.42 (14)	H16E—C16S—H16F	109.5
C9—K2'—N4	127.2 (2)	C17S—O5S—C20S	104.4 (13)
C7—K2'—N4	132.2 (3)	O5S—C17S—C18S	99.1 (13)
C34—K2'—N4	24.37 (11)	O5S—C17S—H17D	112.0
O5S^i—K2'—N4	101.1 (3)	C18S—C17S—H17D	112.0
N2—K2'—N4	106.5 (2)	O5S—C17S—H17E	112.0
C6—K2'—N4	109.5 (2)	C18S—C17S—H17E	112.0
C12T—O3T—C9T	108.5 (10)	H17D—C17S—H17E	109.6
C12T—O3T—K2'	129.0 (10)	C17S—C18S—C19S	99.0 (13)
C9T—O3T—K2'	122.2 (10)	C17S—C18S—H18A	112.0
O3T—C9T—C10T	107.0 (9)	C19S—C18S—H18A	112.0
O3T—C9T—H9TA	110.3	C17S—C18S—H18B	112.0
C10T—C9T—H9TA	110.3	C19S—C18S—H18B	112.0
O3T—C9T—H9TB	110.3	H18A—C18S—H18B	109.7
C10T—C9T—H9TB	110.3	C20S—C19S—C18S	101.0 (12)
H9TA—C9T—H9TB	108.6	C20S—C19S—H19A	111.6
C9T—C10T—C11T	102.7 (10)	C18S—C19S—H19A	111.6
C9T—C10T—H10C	111.2	C20S—C19S—H19B	111.6
C11T—C10T—H10C	111.2	C18S—C19S—H19B	111.6
C9T—C10T—H10D	111.2	H19A—C19S—H19B	109.4
C11T—C10T—H10D	111.2	O5S—C20S—C19S	105.7 (13)
H10C—C10T—H10D	109.1	O5S—C20S—H20A	110.6
C10T—C11T—C12T	99.6 (14)	C19S—C20S—H20A	110.6
C10T—C11T—H11C	111.8	O5S—C20S—H20B	110.6
C12T—C11T—H11C	111.8	C19S—C20S—H20B	110.6
C10T—C11T—H11D	111.8	H20A—C20S—H20B	108.7
C12T—C11T—H11D	111.8
C4S—O1S—C1S—C2S	−14 (3)	C20—C21—C22—C24	175.6 (5)
K1—O1S—C1S—C2S	−151.5 (14)	C19—C18—C23—O1	174.9 (4)
O1S—C1S—C2S—C3S	16 (3)	C1—C18—C23—O1	−8.9 (7)
C1S—C2S—C3S—C4S	−11 (3)	C19—C18—C23—C22	−4.4 (7)
C1S—O1S—C4S—C3S	7 (4)	C1—C18—C23—C22	171.8 (5)
K1—O1S—C4S—C3S	146 (2)	C32—O1—C23—C18	−148.0 (4)
C1S—O1S—C4S—K1	−139 (3)	K2—O1—C23—C18	55.6 (6)
C2S—C3S—C4S—O1S	3 (4)	C32—O1—C23—C22	31.3 (6)
C2S—C3S—C4S—K1	38 (4)	K2—O1—C23—C22	−125.2 (4)
C4T—O1T—C1T—C2T	13 (4)	C21—C22—C23—C18	5.1 (8)
K1—O1T—C1T—C2T	−143.8 (19)	C24—C22—C23—C18	−172.4 (5)
O1T—C1T—C2T—C3T	3 (4)	C21—C22—C23—O1	−174.1 (5)
C1T—C2T—C3T—C4T	−18 (5)	C24—C22—C23—O1	8.3 (7)
C1T—O1T—C4T—C3T	−25 (5)	C21—C22—C24—C27	141.5 (5)
K1—O1T—C4T—C3T	134 (3)	C23—C22—C24—C27	−41.1 (6)
C2T—C3T—C4T—O1T	25 (5)	C21—C22—C24—C26	18.3 (8)
C8S—O2S—C5S—C6S	−36.9 (12)	C23—C22—C24—C26	−164.3 (5)
K1—O2S—C5S—C6S	150.7 (15)	C21—C22—C24—C25	−101.6 (6)
O2S—C5S—C6S—C7S	18.2 (14)	C23—C22—C24—C25	75.8 (6)
C5S—C6S—C7S—C8S	6.5 (12)	C26—C24—C27—C28	−19.4 (8)
C5S—O2S—C8S—C7S	40.9 (10)	C22—C24—C27—C28	−143.1 (5)
K1—O2S—C8S—C7S	−142.7 (5)	C25—C24—C27—C28	101.0 (6)
C5S—O2S—C8S—K1	−176.4 (10)	C26—C24—C27—C32	161.1 (5)
C6S—C7S—C8S—O2S	−29.1 (10)	C22—C24—C27—C32	37.4 (6)
C6S—C7S—C8S—K1	−78.7 (11)	C25—C24—C27—C32	−78.4 (6)
C8T—O2T—C5T—C6T	−37 (4)	C32—C27—C28—C29	2.6 (8)
K1—O2T—C5T—C6T	145 (2)	C24—C27—C28—C29	−176.8 (5)
O2T—C5T—C6T—C7T	30 (4)	C27—C28—C29—C30	−1.8 (9)
C5T—C6T—C7T—C8T	−12 (6)	C28—C29—C30—C31	−0.4 (8)
C5T—O2T—C8T—C7T	29 (5)	C29—C30—C31—C32	1.5 (7)
K1—O2T—C8T—C7T	−154 (5)	C29—C30—C31—C33	177.0 (5)
C6T—C7T—C8T—O2T	−10 (6)	C30—C31—C32—O1	179.5 (4)
C12S—O3S—C9S—C10S	10 (4)	C33—C31—C32—O1	4.2 (7)
K2—O3S—C9S—C10S	−168.1 (18)	C30—C31—C32—C27	−0.6 (7)
O3S—C9S—C10S—C11S	−33 (2)	C33—C31—C32—C27	−175.9 (5)
C9S—C10S—C11S—C12S	41 (3)	C23—O1—C32—C31	145.0 (4)
C9S—O3S—C12S—C11S	17 (6)	K2—O1—C32—C31	−57.0 (5)
K2—O3S—C12S—C11S	−165 (3)	C23—O1—C32—C27	−34.9 (6)
C10S—C11S—C12S—O3S	−34 (5)	K2—O1—C32—C27	123.0 (4)
C12T—O3T—C9T—C10T	−8 (3)	C28—C27—C32—C31	−1.4 (7)
K2'—O3T—C9T—C10T	165.2 (12)	C24—C27—C32—C31	178.1 (5)
O3T—C9T—C10T—C11T	30.3 (18)	C28—C27—C32—O1	178.5 (4)
C9T—C10T—C11T—C12T	−38.9 (19)	C24—C27—C32—O1	−2.0 (7)
C9T—O3T—C12T—C11T	−18 (3)	C30—C31—C33—C34	−89.9 (5)
K2'—O3T—C12T—C11T	169.5 (16)	C32—C31—C33—C34	85.3 (6)
C10T—C11T—C12T—O3T	35 (3)	C30—C31—C33—C38	71.6 (6)
C5—N1—C2—C3	2.5 (5)	C32—C31—C33—C38	−113.3 (5)
Cr1—N1—C2—C3	−152.7 (3)	C37—N4—C34—C35	3.6 (5)
C5—N1—C2—C1	−172.3 (4)	Cr2—N4—C34—C35	−154.0 (3)
Cr1—N1—C2—C1	32.6 (5)	K2'—N4—C34—C35	−67.1 (3)
C5—N1—C2—K1	69.5 (3)	K2—N4—C34—C35	−72.2 (4)
Cr1—N1—C2—K1	−85.6 (2)	C37—N4—C34—C33	−169.7 (4)
C6—C1—C2—N1	13.7 (7)	Cr2—N4—C34—C33	32.7 (5)
C18—C1—C2—N1	175.1 (4)	K2'—N4—C34—C33	119.6 (5)
C6—C1—C2—C3	−159.8 (5)	K2—N4—C34—C33	114.5 (5)
C18—C1—C2—C3	1.5 (7)	C37—N4—C34—K2	75.8 (4)
C6—C1—C2—K1	119.3 (4)	Cr2—N4—C34—K2	−81.8 (3)
C18—C1—C2—K1	−79.4 (4)	C37—N4—C34—K2'	70.7 (3)
N1—C2—C3—C4	−2.1 (5)	Cr2—N4—C34—K2'	−86.9 (2)
C1—C2—C3—C4	172.1 (5)	C38—C33—C34—N4	13.4 (7)
K1—C2—C3—C4	−84.2 (3)	C31—C33—C34—N4	173.3 (4)
N1—C2—C3—K1	82.1 (3)	C38—C33—C34—C35	−158.7 (5)
C1—C2—C3—K1	−103.6 (5)	C31—C33—C34—C35	1.2 (7)
C2—C3—C4—C5	0.9 (5)	C38—C33—C34—K2	119.6 (5)
K1—C3—C4—C5	−83.0 (4)	C31—C33—C34—K2	−80.5 (4)
C2—C3—C4—K1	83.9 (3)	C38—C33—C34—K2'	116.9 (4)
C2—N1—C5—C4	−1.9 (5)	C31—C33—C34—K2'	−83.2 (4)
Cr1—N1—C5—C4	145.4 (4)	N4—C34—C35—C36	−2.4 (5)
C2—N1—C5—C10	173.5 (4)	C33—C34—C35—C36	170.7 (4)
Cr1—N1—C5—C10	−39.2 (7)	K2—C34—C35—C36	−88.7 (3)
C2—N1—C5—K1	−61.1 (3)	K2'—C34—C35—C36	−80.0 (4)
Cr1—N1—C5—K1	86.2 (4)	N4—C34—C35—K2	86.3 (3)
C3—C4—C5—N1	0.6 (5)	C33—C34—C35—K2	−100.6 (5)
K1—C4—C5—N1	−67.0 (3)	N4—C34—C35—K2'	77.7 (4)
C3—C4—C5—C10	−174.5 (5)	C33—C34—C35—K2'	−109.3 (5)
K1—C4—C5—C10	117.9 (5)	C34—C35—C36—C37	0.2 (5)
C3—C4—C5—K1	67.6 (3)	K2—C35—C36—C37	−80.1 (4)
C9—N2—C6—C7	−3.5 (5)	K2'—C35—C36—C37	−80.9 (4)
Cr1—N2—C6—C7	161.2 (3)	C34—C35—C36—K2'	81.1 (3)
K2—N2—C6—C7	70.9 (4)	C34—C35—C36—K2	80.3 (4)
K2'—N2—C6—C7	68.1 (4)	C35—C36—C37—N4	2.1 (5)
C9—N2—C6—C1	168.2 (4)	K2'—C36—C37—N4	−67.4 (4)
Cr1—N2—C6—C1	−27.1 (5)	K2—C36—C37—N4	−59.4 (4)
K2—N2—C6—C1	−117.3 (5)	C35—C36—C37—C42	−173.2 (5)
K2'—N2—C6—C1	−120.1 (4)	K2'—C36—C37—C42	117.4 (5)
C9—N2—C6—K2	−74.5 (4)	K2—C36—C37—C42	125.3 (5)
Cr1—N2—C6—K2	90.3 (3)	C35—C36—C37—K2'	69.4 (4)
C9—N2—C6—K2'	−71.7 (3)	C34—N4—C37—C36	−3.5 (5)
Cr1—N2—C6—K2'	93.1 (2)	Cr2—N4—C37—C36	145.9 (4)
C2—C1—C6—C7	153.2 (5)	K2'—N4—C37—C36	61.3 (4)
C18—C1—C6—C7	−8.9 (7)	K2—N4—C37—C36	56.9 (4)
C2—C1—C6—N2	−17.0 (7)	C34—N4—C37—C42	172.0 (4)
C18—C1—C6—N2	−179.1 (4)	Cr2—N4—C37—C42	−38.6 (7)
C2—C1—C6—K2	−115.8 (5)	K2'—N4—C37—C42	−123.1 (5)
C18—C1—C6—K2	82.2 (5)	K2—N4—C37—C42	−127.6 (4)
C2—C1—C6—K2'	−111.1 (5)	C34—N4—C37—K2'	−64.9 (3)
C18—C1—C6—K2'	86.8 (5)	Cr2—N4—C37—K2'	84.6 (4)
N2—C6—C7—C8	2.6 (6)	C41—N3—C38—C39	−4.1 (5)
C1—C6—C7—C8	−168.6 (5)	Cr2—N3—C38—C39	161.3 (3)
K2—C6—C7—C8	78.7 (4)	K1—N3—C38—C39	66.3 (3)
K2'—C6—C7—C8	71.5 (4)	C41—N3—C38—C33	169.8 (4)
N2—C6—C7—K2	−76.0 (4)	Cr2—N3—C38—C33	−24.9 (5)
C1—C6—C7—K2	112.7 (5)	K1—N3—C38—C33	−119.9 (4)
N2—C6—C7—K2'	−68.8 (4)	C41—N3—C38—K1	−70.3 (3)
C1—C6—C7—K2'	119.9 (5)	Cr2—N3—C38—K1	95.0 (2)
C6—C7—C8—C9	−0.7 (6)	C34—C33—C38—C39	154.5 (5)
K2—C7—C8—C9	73.9 (4)	C31—C33—C38—C39	−5.2 (7)
K2'—C7—C8—C9	73.9 (4)	C34—C33—C38—N3	−18.1 (7)
C6—C7—C8—K2	−74.6 (4)	C31—C33—C38—N3	−177.8 (4)
C6—C7—C8—K2'	−74.6 (4)	C34—C33—C38—K1	−113.8 (4)
C6—N2—C9—C8	3.1 (5)	C31—C33—C38—K1	86.5 (4)
Cr1—N2—C9—C8	−155.7 (4)	N3—C38—C39—C40	3.4 (5)
K2—N2—C9—C8	−63.9 (4)	C33—C38—C39—C40	−169.9 (5)
K2'—N2—C9—C8	−70.7 (4)	K1—C38—C39—C40	73.6 (3)
C6—N2—C9—C14	−173.8 (4)	N3—C38—C39—K1	−70.2 (3)
Cr1—N2—C9—C14	27.5 (7)	C33—C38—C39—K1	116.4 (5)
K2—N2—C9—C14	119.2 (5)	C38—C39—C40—C41	−1.5 (5)
K2'—N2—C9—C14	112.5 (5)	K1—C39—C40—C41	75.8 (3)
C6—N2—C9—K2'	73.8 (3)	C38—C39—C40—K1	−77.3 (3)
Cr1—N2—C9—K2'	−85.0 (4)	C38—N3—C41—C40	3.1 (5)
C6—N2—C9—K2	67.0 (3)	Cr2—N3—C41—C40	−156.6 (4)
Cr1—N2—C9—K2	−91.7 (4)	K1—N3—C41—C40	−67.8 (3)
C7—C8—C9—N2	−1.5 (6)	C38—N3—C41—C46	−173.2 (4)
K2—C8—C9—N2	64.4 (3)	Cr2—N3—C41—C46	27.0 (7)
K2'—C8—C9—N2	72.7 (4)	K1—N3—C41—C46	115.9 (4)
C7—C8—C9—C14	175.3 (5)	C38—N3—C41—K1	70.9 (3)
K2—C8—C9—C14	−118.9 (5)	Cr2—N3—C41—K1	−88.8 (4)
K2'—C8—C9—C14	−110.5 (5)	C39—C40—C41—N3	−1.0 (5)
C7—C8—C9—K2'	−74.2 (4)	K1—C40—C41—N3	71.8 (3)
C7—C8—C9—K2	−65.8 (4)	C39—C40—C41—C46	175.2 (4)
N1—C5—C10—C13	−2.8 (7)	K1—C40—C41—C46	−111.9 (5)
C4—C5—C10—C13	171.7 (5)	C39—C40—C41—K1	−72.9 (3)
K1—C5—C10—C13	−102.4 (4)	C36—C37—C42—C45	167.9 (5)
N1—C5—C10—C12	120.0 (5)	N4—C37—C42—C45	−6.8 (7)
C4—C5—C10—C12	−65.5 (6)	K2'—C37—C42—C45	−104.3 (5)
K1—C5—C10—C12	20.4 (5)	C36—C37—C42—C43	48.9 (7)
N1—C5—C10—C11	−121.6 (5)	N4—C37—C42—C43	−125.8 (5)
C4—C5—C10—C11	52.9 (7)	K2'—C37—C42—C43	136.7 (4)
K1—C5—C10—C11	138.8 (4)	C36—C37—C42—C44	−69.9 (6)
N2—C9—C14—C16	12.3 (7)	N4—C37—C42—C44	115.5 (5)
C8—C9—C14—C16	−164.0 (5)	K2'—C37—C42—C44	17.9 (6)
K2'—C9—C14—C16	105.5 (4)	N3—C41—C46—C48	12.3 (6)
K2—C9—C14—C16	103.8 (5)	C40—C41—C46—C48	−163.4 (5)
N2—C9—C14—C17	−110.5 (5)	K1—C41—C46—C48	107.8 (4)
C8—C9—C14—C17	73.2 (6)	N3—C41—C46—C47	131.5 (5)
K2'—C9—C14—C17	−17.3 (5)	C40—C41—C46—C47	−44.2 (6)
K2—C9—C14—C17	−19.0 (6)	K1—C41—C46—C47	−133.0 (3)
N2—C9—C14—C15	131.1 (5)	N3—C41—C46—C49	−111.6 (5)
C8—C9—C14—C15	−45.2 (7)	C40—C41—C46—C49	72.7 (6)
K2'—C9—C14—C15	−135.7 (4)	K1—C41—C46—C49	−16.1 (5)
K2—C9—C14—C15	−137.4 (4)	C13S—C14S—O4S—C15S	−176.8 (12)
C2—C1—C18—C23	126.9 (5)	C14S—O4S—C15S—C16S	−179.7 (14)
C6—C1—C18—C23	−70.0 (6)	C20S—O5S—C17S—C18S	−42.6 (17)
C2—C1—C18—C19	−56.9 (6)	K2'^ii—O5S—C17S—C18S	145.5 (11)
C6—C1—C18—C19	106.2 (5)	O5S—C17S—C18S—C19S	54.7 (18)
C23—C18—C19—C20	0.5 (8)	C17S—C18S—C19S—C20S	−46 (2)
C1—C18—C19—C20	−175.8 (5)	C17S—O5S—C20S—C19S	14 (2)
C18—C19—C20—C21	2.6 (9)	K2'^ii—O5S—C20S—C19S	−177.0 (13)
C19—C20—C21—C22	−1.8 (9)	C18S—C19S—C20S—O5S	20 (2)
C20—C21—C22—C23	−1.9 (8)

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