A mol­ecular substitutional disorder case study suitable for instruction: L₂Cr^II(THF)/L₂[(tri­methyl­sil­yl)meth­yl]Cr^III (L is 2,5-bis­{[(2,6-di­iso­propyl­phen­yl)imino]­meth­yl}pyrrol-1-ide)

A solution of Cr^II and Cr^III com­plexes, bis(2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ido)(tetrahydrofuran)chromium(II)–bis(2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ido)[(trimethylsilyl)methyl]chromium(III) (0.88/0.12), [Cr(C₃₀H₃₈N₃)₂(C₄H₈O)]_0.88[Cr(C₃₀H₃₈N₃)₂(C₄H₁₁Si)]_0.12 or L₂Cr^II(THF)/L₂[(tri­methyl­sil­yl)meth­yl]Cr^III (L = 2,5-bis­{[(2,6-di­iso­propyl­phen­yl)imino]­meth­yl}pyrrol-1-ide and THF is tetra­hydro­furan), in pentane crystallizes in the monoclinic space group P2₁/c. The structure obtained shows most of the atoms coincident but with THF disordered with the (tri­methyl­sil­yl)methyl ligand. Structures with this disorder, involving more than two or three atoms, seem to appear rarely in the literature; however, in this case, the data set is ideal for the crystallographic instruction of mol­ecular substitution disorder.

Computing details

Data collection: SMART (Bruker, 1997); cell refinement: SMART (Bruker, 1997); data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS1997 (Sheldrick, 2008); program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009) and Mercury (Macrae et al., 2020).

Bis(2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ido)(tetrahydrofuran)chromium(II)–bis(2,5-bis{[(2,6-diisopropylphenyl)imino]methyl}pyrrol-1-ido)[(trimethylsilyl)methyl]chromium(III) (0.88/0.12)

Crystal data

[Cr(C30H38N3)2(C4H8O)]0.88[Cr(C30H38N3)2(C4H11Si)]0.12	F(000) = 2172
Mr = 1007.22	Dx = 1.150 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 22.028 (4) Å	Cell parameters from 956 reflections
b = 13.487 (2) Å	θ = 2.6–22.3°
c = 19.587 (3) Å	µ = 0.24 mm^−1
β = 90.809 (3)°	T = 150 K
V = 5818.3 (16) Å^3	Blade, red
Z = 4	0.3 × 0.15 × 0.15 mm

Data collection

Bruker SMART APEX CCD diffractometer	9166 reflections with I > 2σ(I)
phi and ω scans	Rint = 0.039
Absorption correction: multi-scan (SADABS; Bruker, 1997)	θmax = 28.3°, θmin = 2.1°
Tmin = 0.918, Tmax = 1.000	h = −28→29
35989 measured reflections	k = −17→17
13521 independent reflections	l = −14→25

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.050	H-atom parameters constrained
wR(F^2) = 0.130	w = 1/[σ^2(Fo^2) + (0.0586P)^2 + 0.8162P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max < 0.001
13521 reflections	Δρmax = 0.48 e Å^−3
695 parameters	Δρmin = −0.38 e Å^−3
27 restraints

Special details

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

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cr1	0.74664 (2)	0.70388 (2)	0.81646 (2)	0.02747 (9)
N1	0.75178 (7)	0.76400 (11)	0.71758 (8)	0.0279 (3)
N2	0.77644 (7)	0.58078 (11)	0.76381 (7)	0.0242 (3)
N3	0.80391 (7)	0.34464 (11)	0.84828 (8)	0.0292 (4)
N4	0.85178 (6)	0.72469 (11)	0.88930 (8)	0.0244 (3)
N5	0.73883 (6)	0.63613 (11)	0.90853 (7)	0.0229 (3)
N6	0.62809 (7)	0.61742 (12)	0.83578 (8)	0.0318 (4)
C1	0.73822 (9)	0.86494 (14)	0.69691 (9)	0.0281 (4)
C2	0.78498 (9)	0.93566 (14)	0.70023 (9)	0.0304 (4)
C3	0.77051 (10)	1.03391 (15)	0.68397 (10)	0.0346 (5)
H3	0.801518	1.082865	0.684965	0.042*
C4	0.71168 (10)	1.06091 (15)	0.66646 (10)	0.0362 (5)
H4	0.702496	1.128013	0.655775	0.043*
C5	0.66652 (10)	0.99035 (15)	0.66454 (11)	0.0372 (5)
H5	0.626225	1.009677	0.652841	0.045*
C6	0.67864 (9)	0.89107 (15)	0.67941 (10)	0.0332 (5)
C7	0.84976 (10)	0.90758 (16)	0.71893 (11)	0.0384 (5)
H7	0.848280	0.846507	0.747810	0.046*
C8	0.88342 (11)	0.98794 (18)	0.76001 (12)	0.0522 (6)
H8A	0.924832	0.965511	0.770486	0.078*
H8B	0.884960	1.049149	0.733126	0.078*
H8C	0.861970	1.000468	0.802645	0.078*
C9	0.88554 (10)	0.88274 (18)	0.65505 (13)	0.0482 (6)
H9A	0.927222	0.864800	0.668099	0.072*
H9B	0.866220	0.826893	0.631230	0.072*
H9C	0.886158	0.940576	0.624773	0.072*
C10	0.62724 (10)	0.81617 (16)	0.67327 (13)	0.0447 (6)
H10	0.641577	0.752374	0.693921	0.054*
C11	0.61223 (14)	0.7972 (2)	0.59824 (15)	0.0721 (9)
H11A	0.579097	0.748955	0.594576	0.108*
H11B	0.599747	0.859503	0.576398	0.108*
H11C	0.648184	0.771090	0.575483	0.108*
C12	0.57048 (11)	0.8495 (2)	0.71158 (18)	0.0738 (9)
H12A	0.538617	0.799236	0.706298	0.111*
H12B	0.580546	0.857777	0.760141	0.111*
H12C	0.556032	0.912681	0.692770	0.111*
C13	0.76714 (8)	0.69774 (14)	0.67287 (9)	0.0284 (4)
H13	0.769456	0.714785	0.625924	0.034*
C14	0.78042 (8)	0.59975 (14)	0.69473 (9)	0.0267 (4)
C15	0.79756 (9)	0.51364 (14)	0.65984 (10)	0.0329 (5)
H15	0.803019	0.506959	0.612040	0.039*
C16	0.80498 (9)	0.44035 (14)	0.70862 (10)	0.0307 (4)
H16	0.816908	0.373685	0.700729	0.037*
C17	0.79156 (8)	0.48302 (13)	0.77193 (9)	0.0249 (4)
C18	0.79068 (8)	0.43649 (13)	0.83909 (10)	0.0262 (4)
H18	0.779935	0.475511	0.877444	0.031*
C19	0.79648 (9)	0.30639 (13)	0.91613 (10)	0.0291 (4)
C20	0.73872 (9)	0.27080 (14)	0.93465 (10)	0.0323 (4)
C21	0.73250 (10)	0.23067 (16)	0.99966 (11)	0.0408 (5)
H21	0.693993	0.206521	1.013241	0.049*
C22	0.78098 (11)	0.22523 (16)	1.04474 (11)	0.0457 (6)
H22	0.775760	0.197640	1.088900	0.055*
C23	0.83737 (11)	0.26014 (16)	1.02547 (11)	0.0428 (5)
H23	0.870587	0.256407	1.056831	0.051*
C24	0.84620 (9)	0.30044 (14)	0.96118 (11)	0.0348 (5)
C25	0.68595 (9)	0.27782 (16)	0.88385 (11)	0.0376 (5)
H25	0.687009	0.346165	0.864095	0.045*
C26	0.62345 (10)	0.2649 (2)	0.91544 (14)	0.0563 (7)
H26A	0.592036	0.270322	0.879706	0.084*
H26B	0.620996	0.199475	0.937047	0.084*
H26C	0.617204	0.316494	0.949848	0.084*
C27	0.69412 (11)	0.20545 (17)	0.82425 (12)	0.0447 (5)
H27A	0.659605	0.211484	0.792398	0.067*
H27B	0.731758	0.221161	0.800464	0.067*
H27C	0.696204	0.137482	0.841821	0.067*
C28	0.90767 (10)	0.33824 (17)	0.93854 (12)	0.0444 (6)
H28	0.900297	0.401650	0.913297	0.053*
C29	0.93605 (11)	0.2663 (2)	0.88851 (15)	0.0601 (7)
H29A	0.975619	0.291802	0.874438	0.090*
H29B	0.941428	0.201598	0.910497	0.090*
H29C	0.909405	0.259234	0.848312	0.090*
C30	0.95196 (13)	0.3617 (2)	0.99724 (16)	0.0751 (9)
H30A	0.990371	0.385523	0.978653	0.113*
H30B	0.934504	0.412974	1.026465	0.113*
H30C	0.959381	0.301552	1.024185	0.113*
C31	0.91060 (8)	0.76809 (13)	0.88007 (9)	0.0258 (4)
C32	0.92817 (9)	0.85244 (14)	0.91739 (10)	0.0294 (4)
C33	0.98460 (9)	0.89489 (15)	0.90391 (11)	0.0360 (5)
H33	0.997196	0.951778	0.928958	0.043*
C34	1.02238 (9)	0.85639 (16)	0.85529 (11)	0.0385 (5)
H34	1.060510	0.886618	0.846893	0.046*
C35	1.00459 (9)	0.77362 (16)	0.81881 (11)	0.0364 (5)
H35	1.030843	0.747205	0.785314	0.044*
C36	0.94875 (8)	0.72789 (14)	0.83012 (10)	0.0300 (4)
C37	0.88923 (9)	0.89559 (14)	0.97359 (10)	0.0326 (5)
H37	0.847587	0.866794	0.968435	0.039*
C38	0.88334 (10)	1.00887 (15)	0.96946 (11)	0.0421 (5)
H38A	0.857886	1.032500	1.006733	0.063*
H38B	0.923698	1.039061	0.973452	0.063*
H38C	0.864665	1.027343	0.925570	0.063*
C39	0.91437 (10)	0.86467 (16)	1.04366 (11)	0.0401 (5)
H39A	0.888971	0.892841	1.079475	0.060*
H39B	0.914196	0.792190	1.047195	0.060*
H39C	0.956028	0.889193	1.049186	0.060*
C40	0.93144 (9)	0.63250 (15)	0.79360 (11)	0.0362 (5)
H40	0.886170	0.627039	0.794025	0.043*
C41	0.95708 (13)	0.54456 (17)	0.83274 (12)	0.0565 (7)
H41A	0.944282	0.548086	0.880397	0.085*
H41B	0.942017	0.482925	0.812126	0.085*
H41C	1.001515	0.545859	0.830996	0.085*
C42	0.95105 (11)	0.62756 (17)	0.71982 (11)	0.0482 (6)
H42A	0.934379	0.684492	0.694759	0.072*
H42B	0.995475	0.628956	0.717938	0.072*
H42C	0.935976	0.566022	0.699068	0.072*
C43	0.84278 (8)	0.67144 (13)	0.94247 (9)	0.0268 (4)
H43	0.875064	0.662551	0.974562	0.032*
C44	0.78519 (8)	0.62471 (13)	0.95496 (9)	0.0252 (4)
C45	0.76840 (9)	0.55868 (14)	1.00646 (9)	0.0307 (4)
H45	0.792408	0.538865	1.044754	0.037*
C46	0.70986 (9)	0.52788 (14)	0.99062 (9)	0.0292 (4)
H46	0.685979	0.482494	1.015833	0.035*
C47	0.69278 (8)	0.57650 (13)	0.93041 (9)	0.0248 (4)
C48	0.63737 (8)	0.56820 (14)	0.89097 (10)	0.0278 (4)
H48	0.606558	0.524657	0.906387	0.033*
C49	0.57042 (8)	0.61089 (15)	0.80135 (11)	0.0338 (5)
C50	0.51780 (9)	0.65000 (15)	0.83105 (11)	0.0366 (5)
C51	0.46404 (9)	0.64825 (16)	0.79208 (13)	0.0436 (6)
H51	0.427935	0.674224	0.811113	0.052*
C52	0.46207 (10)	0.61015 (17)	0.72734 (13)	0.0478 (6)
H52	0.425079	0.610546	0.701820	0.057*
C53	0.51397 (9)	0.57115 (17)	0.69920 (12)	0.0436 (5)
H53	0.512030	0.544125	0.654432	0.052*
C54	0.56899 (9)	0.57047 (15)	0.73479 (11)	0.0360 (5)
C55	0.62495 (9)	0.52083 (16)	0.70660 (11)	0.0403 (5)
H55	0.661226	0.557479	0.724643	0.048*
C56	0.62863 (11)	0.41434 (17)	0.73359 (13)	0.0519 (6)
H56A	0.664795	0.381863	0.715476	0.078*
H56B	0.631138	0.415377	0.783576	0.078*
H56C	0.592301	0.377662	0.718976	0.078*
C57	0.62847 (11)	0.52038 (19)	0.62861 (12)	0.0532 (6)
H57A	0.665847	0.487052	0.614725	0.080*
H57B	0.593292	0.485030	0.609441	0.080*
H57C	0.628511	0.588790	0.611730	0.080*
C58	0.51648 (10)	0.69035 (16)	0.90325 (12)	0.0418 (5)
H58	0.559478	0.696689	0.919734	0.050*
C59	0.48719 (12)	0.79329 (18)	0.90770 (15)	0.0586 (7)
H59A	0.487589	0.815553	0.955331	0.088*
H59B	0.510095	0.840271	0.879890	0.088*
H59C	0.445184	0.789817	0.890722	0.088*
C60	0.48440 (11)	0.6183 (2)	0.95087 (14)	0.0581 (7)
H60A	0.484086	0.645831	0.997162	0.087*
H60B	0.442565	0.608062	0.934703	0.087*
H60C	0.505975	0.554735	0.951299	0.087*
O1	0.70954 (8)	0.83552 (12)	0.85469 (8)	0.0313 (4)	0.876 (2)
C61	0.74640 (11)	0.92255 (19)	0.87079 (13)	0.0387 (6)	0.876 (2)
H61A	0.742780	0.972730	0.834074	0.046*	0.876 (2)
H61B	0.789666	0.904059	0.876558	0.046*	0.876 (2)
C62	0.72137 (13)	0.9621 (2)	0.93677 (14)	0.0528 (8)	0.876 (2)
H62A	0.727881	1.034464	0.940931	0.063*	0.876 (2)
H62B	0.739954	0.928389	0.976823	0.063*	0.876 (2)
C63	0.65438 (13)	0.9373 (2)	0.92942 (15)	0.0501 (7)	0.876 (2)
H63A	0.634448	0.935141	0.974387	0.060*	0.876 (2)
H63B	0.632983	0.985641	0.899648	0.060*	0.876 (2)
C64	0.65631 (13)	0.8375 (2)	0.89744 (17)	0.0560 (8)	0.876 (2)
H64A	0.659208	0.785428	0.932960	0.067*	0.876 (2)
H64B	0.619140	0.825818	0.869594	0.067*	0.876 (2)
Si	0.6947 (2)	0.8988 (3)	0.9045 (2)	0.0300 (16)	0.124 (2)
C1A	0.6894 (9)	0.8005 (14)	0.8463 (10)	0.0282 (19)	0.124 (2)
H1AA	0.674727	0.832082	0.803530	0.034*	0.124 (2)
H1AB	0.654836	0.760630	0.862818	0.034*	0.124 (2)
C2A	0.6197 (6)	0.9612 (12)	0.9090 (9)	0.034 (2)	0.124 (2)
H2AA	0.622170	1.016355	0.941495	0.051*	0.124 (2)
H2AB	0.608193	0.986516	0.863772	0.051*	0.124 (2)
H2AC	0.589109	0.913531	0.924211	0.051*	0.124 (2)
C3A	0.7174 (7)	0.8500 (11)	0.9897 (6)	0.033 (3)	0.124 (2)
H3AA	0.720365	0.904858	1.022349	0.050*	0.124 (2)
H3AB	0.686907	0.802344	1.005150	0.050*	0.124 (2)
H3AC	0.756855	0.816890	0.986554	0.050*	0.124 (2)
C4A	0.7544 (6)	0.9811 (12)	0.8698 (8)	0.033 (2)	0.124 (2)
H4AA	0.759922	1.038371	0.900031	0.050*	0.124 (2)
H4AB	0.792640	0.944318	0.866962	0.050*	0.124 (2)
H4AC	0.742084	1.003881	0.824188	0.050*	0.124 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cr1	0.04094 (19)	0.02119 (16)	0.02033 (16)	0.00349 (13)	0.00230 (13)	0.00162 (12)
N1	0.0347 (9)	0.0252 (8)	0.0238 (8)	0.0007 (7)	0.0007 (7)	0.0036 (7)
N2	0.0275 (8)	0.0235 (8)	0.0216 (8)	0.0001 (6)	−0.0011 (6)	−0.0008 (6)
N3	0.0330 (9)	0.0275 (9)	0.0272 (9)	0.0023 (7)	−0.0006 (7)	−0.0004 (7)
N4	0.0245 (8)	0.0235 (8)	0.0250 (8)	−0.0016 (6)	−0.0017 (6)	−0.0011 (6)
N5	0.0254 (8)	0.0213 (8)	0.0222 (8)	−0.0013 (6)	−0.0005 (6)	−0.0014 (6)
N6	0.0258 (8)	0.0334 (9)	0.0359 (9)	−0.0040 (7)	−0.0044 (7)	0.0062 (8)
C1	0.0402 (11)	0.0271 (10)	0.0171 (9)	0.0041 (8)	0.0031 (8)	0.0037 (8)
C2	0.0417 (11)	0.0292 (10)	0.0203 (9)	−0.0010 (9)	−0.0008 (8)	0.0012 (8)
C3	0.0486 (12)	0.0274 (10)	0.0278 (10)	−0.0039 (9)	−0.0022 (9)	0.0004 (8)
C4	0.0524 (13)	0.0254 (10)	0.0309 (11)	0.0062 (10)	0.0053 (10)	0.0042 (9)
C5	0.0402 (12)	0.0333 (11)	0.0381 (12)	0.0097 (9)	0.0055 (10)	0.0063 (9)
C6	0.0395 (11)	0.0310 (11)	0.0292 (10)	0.0019 (9)	0.0052 (9)	0.0065 (9)
C7	0.0432 (12)	0.0345 (11)	0.0370 (12)	−0.0058 (9)	−0.0105 (10)	0.0115 (9)
C8	0.0539 (15)	0.0581 (16)	0.0442 (14)	−0.0150 (12)	−0.0162 (12)	0.0055 (12)
C9	0.0389 (12)	0.0473 (14)	0.0583 (15)	0.0043 (10)	−0.0062 (11)	−0.0005 (12)
C10	0.0356 (12)	0.0369 (12)	0.0616 (15)	0.0006 (9)	0.0000 (11)	0.0175 (11)
C11	0.0743 (19)	0.0620 (18)	0.079 (2)	−0.0274 (15)	−0.0283 (16)	0.0156 (15)
C12	0.0445 (15)	0.0574 (17)	0.120 (3)	0.0043 (13)	0.0232 (16)	0.0329 (18)
C13	0.0317 (10)	0.0328 (10)	0.0207 (9)	−0.0023 (8)	0.0015 (8)	0.0015 (8)
C14	0.0285 (10)	0.0289 (10)	0.0226 (9)	−0.0021 (8)	−0.0004 (8)	−0.0012 (8)
C15	0.0403 (11)	0.0337 (11)	0.0247 (10)	−0.0015 (9)	0.0051 (9)	−0.0045 (9)
C16	0.0374 (11)	0.0259 (10)	0.0290 (10)	0.0023 (8)	0.0022 (9)	−0.0031 (8)
C17	0.0240 (9)	0.0234 (9)	0.0271 (10)	−0.0010 (7)	−0.0022 (8)	−0.0022 (8)
C18	0.0262 (9)	0.0249 (10)	0.0273 (10)	0.0004 (8)	−0.0025 (8)	−0.0023 (8)
C19	0.0381 (11)	0.0203 (9)	0.0288 (10)	0.0042 (8)	−0.0001 (9)	−0.0012 (8)
C20	0.0399 (11)	0.0261 (10)	0.0310 (11)	0.0063 (8)	0.0033 (9)	−0.0012 (8)
C21	0.0471 (13)	0.0345 (12)	0.0411 (13)	0.0042 (10)	0.0131 (11)	0.0026 (10)
C22	0.0663 (16)	0.0400 (13)	0.0311 (11)	0.0111 (11)	0.0038 (11)	0.0094 (10)
C23	0.0556 (14)	0.0371 (12)	0.0354 (12)	0.0067 (11)	−0.0116 (11)	0.0055 (10)
C24	0.0416 (12)	0.0251 (10)	0.0375 (11)	0.0049 (9)	−0.0052 (9)	0.0025 (9)
C25	0.0344 (11)	0.0364 (12)	0.0421 (12)	0.0013 (9)	0.0022 (10)	0.0001 (10)
C26	0.0379 (13)	0.0677 (17)	0.0635 (17)	0.0006 (12)	0.0066 (12)	−0.0021 (14)
C27	0.0448 (13)	0.0440 (13)	0.0452 (13)	−0.0047 (10)	−0.0042 (11)	−0.0044 (11)
C28	0.0421 (12)	0.0381 (12)	0.0526 (14)	−0.0048 (10)	−0.0148 (11)	0.0130 (11)
C29	0.0410 (13)	0.0634 (17)	0.0763 (19)	0.0025 (12)	0.0113 (13)	0.0083 (15)
C30	0.0637 (17)	0.077 (2)	0.084 (2)	−0.0191 (16)	−0.0348 (16)	0.0128 (17)
C31	0.0247 (9)	0.0261 (9)	0.0264 (10)	−0.0013 (8)	−0.0062 (8)	0.0040 (8)
C32	0.0320 (10)	0.0258 (10)	0.0299 (10)	−0.0026 (8)	−0.0088 (8)	0.0035 (8)
C33	0.0359 (11)	0.0320 (11)	0.0400 (12)	−0.0098 (9)	−0.0100 (10)	0.0012 (9)
C34	0.0293 (10)	0.0408 (12)	0.0452 (13)	−0.0109 (9)	−0.0044 (10)	0.0087 (10)
C35	0.0292 (10)	0.0447 (12)	0.0353 (11)	−0.0007 (9)	0.0012 (9)	0.0036 (10)
C36	0.0281 (10)	0.0319 (11)	0.0299 (10)	−0.0013 (8)	−0.0050 (8)	0.0010 (8)
C37	0.0342 (11)	0.0299 (11)	0.0335 (11)	−0.0033 (8)	−0.0064 (9)	−0.0046 (9)
C38	0.0537 (14)	0.0330 (12)	0.0394 (12)	−0.0013 (10)	−0.0098 (11)	−0.0032 (10)
C39	0.0469 (13)	0.0398 (12)	0.0335 (11)	−0.0003 (10)	−0.0012 (10)	−0.0019 (10)
C40	0.0294 (10)	0.0377 (12)	0.0416 (12)	−0.0018 (9)	0.0020 (9)	−0.0083 (10)
C41	0.091 (2)	0.0351 (13)	0.0431 (14)	−0.0052 (13)	0.0083 (14)	0.0044 (11)
C42	0.0650 (16)	0.0426 (13)	0.0366 (12)	0.0047 (12)	−0.0067 (11)	−0.0039 (10)
C43	0.0291 (10)	0.0264 (10)	0.0248 (10)	−0.0010 (8)	−0.0073 (8)	−0.0021 (8)
C44	0.0303 (10)	0.0241 (9)	0.0212 (9)	−0.0009 (8)	−0.0025 (8)	−0.0024 (7)
C45	0.0378 (11)	0.0323 (11)	0.0218 (9)	−0.0011 (9)	−0.0042 (8)	0.0038 (8)
C46	0.0339 (10)	0.0294 (10)	0.0243 (10)	−0.0043 (8)	0.0036 (8)	0.0026 (8)
C47	0.0273 (9)	0.0239 (9)	0.0232 (9)	0.0002 (8)	0.0032 (8)	−0.0001 (7)
C48	0.0256 (9)	0.0263 (10)	0.0318 (10)	−0.0007 (8)	0.0048 (8)	−0.0003 (8)
C49	0.0253 (10)	0.0321 (11)	0.0439 (12)	−0.0055 (8)	−0.0068 (9)	0.0139 (9)
C50	0.0290 (10)	0.0334 (11)	0.0474 (13)	−0.0040 (9)	−0.0030 (9)	0.0121 (10)
C51	0.0276 (11)	0.0394 (13)	0.0635 (16)	−0.0001 (9)	−0.0045 (11)	0.0148 (11)
C52	0.0332 (12)	0.0504 (14)	0.0593 (16)	−0.0047 (10)	−0.0173 (11)	0.0099 (12)
C53	0.0363 (12)	0.0443 (13)	0.0496 (14)	−0.0065 (10)	−0.0138 (10)	0.0050 (11)
C54	0.0333 (11)	0.0318 (11)	0.0425 (12)	−0.0071 (9)	−0.0082 (9)	0.0080 (9)
C55	0.0318 (11)	0.0446 (13)	0.0441 (13)	−0.0055 (9)	−0.0095 (10)	−0.0019 (10)
C56	0.0546 (15)	0.0472 (14)	0.0535 (15)	0.0100 (12)	−0.0090 (12)	−0.0012 (12)
C57	0.0522 (15)	0.0593 (16)	0.0482 (14)	−0.0070 (12)	−0.0030 (12)	0.0012 (12)
C58	0.0299 (11)	0.0456 (13)	0.0500 (14)	0.0008 (10)	0.0025 (10)	0.0059 (11)
C59	0.0539 (15)	0.0514 (15)	0.0706 (18)	0.0076 (12)	−0.0002 (14)	−0.0003 (14)
C60	0.0517 (15)	0.0646 (17)	0.0585 (16)	0.0043 (13)	0.0141 (13)	0.0122 (14)
O1	0.0392 (10)	0.0247 (9)	0.0301 (9)	0.0057 (7)	0.0073 (8)	−0.0032 (7)
C61	0.0399 (14)	0.0306 (14)	0.0455 (15)	−0.0019 (11)	−0.0004 (12)	−0.0073 (12)
C62	0.0597 (18)	0.0543 (18)	0.0443 (16)	0.0076 (15)	−0.0040 (14)	−0.0145 (14)
C63	0.0565 (19)	0.0498 (17)	0.0443 (16)	0.0117 (15)	0.0137 (14)	−0.0028 (13)
C64	0.0497 (17)	0.0451 (17)	0.074 (2)	0.0007 (14)	0.0209 (15)	−0.0079 (15)
Si	0.034 (3)	0.027 (3)	0.029 (2)	0.0034 (19)	0.0016 (18)	−0.0015 (18)
C1A	0.033 (3)	0.025 (3)	0.027 (3)	0.002 (3)	0.002 (3)	−0.002 (3)
C2A	0.038 (4)	0.028 (4)	0.036 (4)	0.005 (4)	0.000 (4)	0.001 (4)
C3A	0.039 (4)	0.032 (4)	0.030 (4)	0.002 (4)	0.003 (4)	−0.006 (4)
C4A	0.038 (4)	0.031 (4)	0.030 (4)	0.003 (4)	−0.002 (4)	−0.002 (4)

Geometric parameters (Å, º)

Cr1—N1	2.1042 (16)	C33—C34	1.375 (3)
Cr1—N2	2.0663 (15)	C34—H34	0.9500
Cr1—N4	2.7175 (15)	C34—C35	1.379 (3)
Cr1—N5	2.0311 (15)	C35—H35	0.9500
Cr1—N6	2.8897 (16)	C35—C36	1.396 (3)
Cr1—O1	2.0971 (16)	C36—C40	1.518 (3)
Cr1—C1A	1.911 (18)	C37—H37	1.0000
N1—C1	1.450 (2)	C37—C38	1.535 (3)
N1—C13	1.299 (2)	C37—C39	1.531 (3)
N2—C14	1.381 (2)	C38—H38A	0.9800
N2—C17	1.369 (2)	C38—H38B	0.9800
N3—C18	1.285 (2)	C38—H38C	0.9800
N3—C19	1.437 (2)	C39—H39A	0.9800
N4—C31	1.435 (2)	C39—H39B	0.9800
N4—C43	1.283 (2)	C39—H39C	0.9800
N5—C44	1.367 (2)	C40—H40	1.0000
N5—C47	1.368 (2)	C40—C41	1.517 (3)
N6—C48	1.283 (2)	C40—C42	1.516 (3)
N6—C49	1.433 (2)	C41—H41A	0.9800
C1—C2	1.405 (3)	C41—H41B	0.9800
C1—C6	1.397 (3)	C41—H41C	0.9800
C2—C3	1.398 (3)	C42—H42A	0.9800
C2—C7	1.516 (3)	C42—H42B	0.9800
C3—H3	0.9500	C42—H42C	0.9800
C3—C4	1.385 (3)	C43—H43	0.9500
C4—H4	0.9500	C43—C44	1.441 (3)
C4—C5	1.377 (3)	C44—C45	1.399 (3)
C5—H5	0.9500	C45—H45	0.9500
C5—C6	1.395 (3)	C45—C46	1.386 (3)
C6—C10	1.521 (3)	C46—H46	0.9500
C7—H7	1.0000	C46—C47	1.396 (3)
C7—C8	1.535 (3)	C47—C48	1.440 (3)
C7—C9	1.525 (3)	C48—H48	0.9500
C8—H8A	0.9800	C49—C50	1.407 (3)
C8—H8B	0.9800	C49—C54	1.413 (3)
C8—H8C	0.9800	C50—C51	1.400 (3)
C9—H9A	0.9800	C50—C58	1.516 (3)
C9—H9B	0.9800	C51—H51	0.9500
C9—H9C	0.9800	C51—C52	1.368 (3)
C10—H10	1.0000	C52—H52	0.9500
C10—C11	1.523 (4)	C52—C53	1.380 (3)
C10—C12	1.534 (3)	C53—H53	0.9500
C11—H11A	0.9800	C53—C54	1.389 (3)
C11—H11B	0.9800	C54—C55	1.514 (3)
C11—H11C	0.9800	C55—H55	1.0000
C12—H12A	0.9800	C55—C56	1.532 (3)
C12—H12B	0.9800	C55—C57	1.531 (3)
C12—H12C	0.9800	C56—H56A	0.9800
C13—H13	0.9500	C56—H56B	0.9800
C13—C14	1.418 (3)	C56—H56C	0.9800
C14—C15	1.402 (3)	C57—H57A	0.9800
C15—H15	0.9500	C57—H57B	0.9800
C15—C16	1.383 (3)	C57—H57C	0.9800
C16—H16	0.9500	C58—H58	1.0000
C16—C17	1.402 (3)	C58—C59	1.534 (3)
C17—C18	1.458 (3)	C58—C60	1.527 (3)
C18—H18	0.9500	C59—H59A	0.9800
C19—C20	1.412 (3)	C59—H59B	0.9800
C19—C24	1.399 (3)	C59—H59C	0.9800
C20—C21	1.392 (3)	C60—H60A	0.9800
C20—C25	1.522 (3)	C60—H60B	0.9800
C21—H21	0.9500	C60—H60C	0.9800
C21—C22	1.378 (3)	O1—C61	1.459 (3)
C22—H22	0.9500	O1—C64	1.451 (3)
C22—C23	1.386 (3)	C61—H61A	0.9900
C23—H23	0.9500	C61—H61B	0.9900
C23—C24	1.388 (3)	C61—C62	1.509 (4)
C24—C28	1.519 (3)	C62—H62A	0.9900
C25—H25	1.0000	C62—H62B	0.9900
C25—C26	1.527 (3)	C62—C63	1.518 (4)
C25—C27	1.534 (3)	C63—H63A	0.9900
C26—H26A	0.9800	C63—H63B	0.9900
C26—H26B	0.9800	C63—C64	1.485 (4)
C26—H26C	0.9800	C64—H64A	0.9900
C27—H27A	0.9800	C64—H64B	0.9900
C27—H27B	0.9800	Si—C1A	1.751 (19)
C27—H27C	0.9800	Si—C2A	1.857 (10)
C28—H28	1.0000	Si—C3A	1.856 (10)
C28—C29	1.520 (3)	Si—C4A	1.856 (10)
C28—C30	1.530 (3)	C1A—H1AA	0.9900
C29—H29A	0.9800	C1A—H1AB	0.9900
C29—H29B	0.9800	C2A—H2AA	0.9800
C29—H29C	0.9800	C2A—H2AB	0.9800
C30—H30A	0.9800	C2A—H2AC	0.9800
C30—H30B	0.9800	C3A—H3AA	0.9800
C30—H30C	0.9800	C3A—H3AB	0.9800
C31—C32	1.404 (3)	C3A—H3AC	0.9800
C31—C36	1.407 (3)	C4A—H4AA	0.9800
C32—C33	1.397 (3)	C4A—H4AB	0.9800
C32—C37	1.521 (3)	C4A—H4AC	0.9800
C33—H33	0.9500
N1—Cr1—N4	112.77 (5)	C35—C34—H34	120.2
N1—Cr1—N6	109.66 (6)	C34—C35—H35	119.3
N2—Cr1—N1	80.13 (6)	C34—C35—C36	121.3 (2)
N2—Cr1—N4	94.05 (5)	C36—C35—H35	119.3
N2—Cr1—N6	92.01 (5)	C31—C36—C40	120.36 (17)
N2—Cr1—O1	170.58 (6)	C35—C36—C31	118.43 (18)
N4—Cr1—N6	137.56 (5)	C35—C36—C40	121.04 (18)
N5—Cr1—N1	175.51 (6)	C32—C37—H37	107.7
N5—Cr1—N2	96.50 (6)	C32—C37—C38	113.01 (17)
N5—Cr1—N4	70.28 (5)	C32—C37—C39	110.13 (16)
N5—Cr1—N6	67.31 (5)	C38—C37—H37	107.7
N5—Cr1—O1	91.46 (6)	C39—C37—H37	107.7
O1—Cr1—N1	91.64 (6)	C39—C37—C38	110.34 (17)
O1—Cr1—N4	93.37 (6)	C37—C38—H38A	109.5
O1—Cr1—N6	86.41 (6)	C37—C38—H38B	109.5
C1A—Cr1—N1	93.6 (6)	C37—C38—H38C	109.5
C1A—Cr1—N2	156.4 (6)	H38A—C38—H38B	109.5
C1A—Cr1—N4	109.3 (6)	H38A—C38—H38C	109.5
C1A—Cr1—N5	88.3 (6)	H38B—C38—H38C	109.5
C1A—Cr1—N6	68.5 (6)	C37—C39—H39A	109.5
C1—N1—Cr1	127.25 (12)	C37—C39—H39B	109.5
C13—N1—Cr1	111.91 (12)	C37—C39—H39C	109.5
C13—N1—C1	120.80 (15)	H39A—C39—H39B	109.5
C14—N2—Cr1	111.42 (12)	H39A—C39—H39C	109.5
C17—N2—Cr1	142.61 (13)	H39B—C39—H39C	109.5
C17—N2—C14	105.88 (15)	C36—C40—H40	107.6
C18—N3—C19	116.57 (16)	C41—C40—C36	109.58 (18)
C31—N4—Cr1	137.73 (11)	C41—C40—H40	107.6
C43—N4—Cr1	103.19 (11)	C42—C40—C36	114.42 (18)
C43—N4—C31	118.73 (16)	C42—C40—H40	107.6
C44—N5—Cr1	124.73 (12)	C42—C40—C41	109.78 (18)
C44—N5—C47	106.01 (15)	C40—C41—H41A	109.5
C47—N5—Cr1	127.95 (12)	C40—C41—H41B	109.5
C48—N6—Cr1	100.69 (12)	C40—C41—H41C	109.5
C48—N6—C49	119.66 (16)	H41A—C41—H41B	109.5
C49—N6—Cr1	139.48 (12)	H41A—C41—H41C	109.5
C2—C1—N1	118.46 (17)	H41B—C41—H41C	109.5
C6—C1—N1	119.64 (17)	C40—C42—H42A	109.5
C6—C1—C2	121.72 (17)	C40—C42—H42B	109.5
C1—C2—C7	121.91 (17)	C40—C42—H42C	109.5
C3—C2—C1	117.91 (18)	H42A—C42—H42B	109.5
C3—C2—C7	120.16 (18)	H42A—C42—H42C	109.5
C2—C3—H3	119.5	H42B—C42—H42C	109.5
C4—C3—C2	121.01 (19)	N4—C43—H43	119.0
C4—C3—H3	119.5	N4—C43—C44	121.97 (17)
C3—C4—H4	120.1	C44—C43—H43	119.0
C5—C4—C3	119.89 (19)	N5—C44—C43	119.29 (16)
C5—C4—H4	120.1	N5—C44—C45	110.41 (16)
C4—C5—H5	119.3	C45—C44—C43	130.04 (17)
C4—C5—C6	121.4 (2)	C44—C45—H45	126.7
C6—C5—H5	119.3	C46—C45—C44	106.50 (16)
C1—C6—C10	123.20 (18)	C46—C45—H45	126.7
C5—C6—C1	118.02 (19)	C45—C46—H46	126.7
C5—C6—C10	118.73 (19)	C45—C46—C47	106.68 (17)
C2—C7—H7	107.7	C47—C46—H46	126.7
C2—C7—C8	113.36 (18)	N5—C47—C46	110.39 (16)
C2—C7—C9	110.61 (17)	N5—C47—C48	120.29 (16)
C8—C7—H7	107.7	C46—C47—C48	129.27 (17)
C9—C7—H7	107.7	N6—C48—C47	122.41 (17)
C9—C7—C8	109.49 (19)	N6—C48—H48	118.8
C7—C8—H8A	109.5	C47—C48—H48	118.8
C7—C8—H8B	109.5	C50—C49—N6	120.83 (19)
C7—C8—H8C	109.5	C50—C49—C54	121.22 (18)
H8A—C8—H8B	109.5	C54—C49—N6	117.79 (18)
H8A—C8—H8C	109.5	C49—C50—C58	123.17 (18)
H8B—C8—H8C	109.5	C51—C50—C49	117.6 (2)
C7—C9—H9A	109.5	C51—C50—C58	119.17 (19)
C7—C9—H9B	109.5	C50—C51—H51	119.1
C7—C9—H9C	109.5	C52—C51—C50	121.8 (2)
H9A—C9—H9B	109.5	C52—C51—H51	119.1
H9A—C9—H9C	109.5	C51—C52—H52	120.1
H9B—C9—H9C	109.5	C51—C52—C53	119.8 (2)
C6—C10—H10	108.0	C53—C52—H52	120.1
C6—C10—C11	109.80 (19)	C52—C53—H53	119.2
C6—C10—C12	112.2 (2)	C52—C53—C54	121.6 (2)
C11—C10—H10	108.0	C54—C53—H53	119.2
C11—C10—C12	110.7 (2)	C49—C54—C55	119.96 (18)
C12—C10—H10	108.0	C53—C54—C49	117.9 (2)
C10—C11—H11A	109.5	C53—C54—C55	121.9 (2)
C10—C11—H11B	109.5	C54—C55—H55	107.7
C10—C11—H11C	109.5	C54—C55—C56	109.15 (18)
H11A—C11—H11B	109.5	C54—C55—C57	114.75 (19)
H11A—C11—H11C	109.5	C56—C55—H55	107.7
H11B—C11—H11C	109.5	C57—C55—H55	107.7
C10—C12—H12A	109.5	C57—C55—C56	109.7 (2)
C10—C12—H12B	109.5	C55—C56—H56A	109.5
C10—C12—H12C	109.5	C55—C56—H56B	109.5
H12A—C12—H12B	109.5	C55—C56—H56C	109.5
H12A—C12—H12C	109.5	H56A—C56—H56B	109.5
H12B—C12—H12C	109.5	H56A—C56—H56C	109.5
N1—C13—H13	120.3	H56B—C56—H56C	109.5
N1—C13—C14	119.47 (17)	C55—C57—H57A	109.5
C14—C13—H13	120.3	C55—C57—H57B	109.5
N2—C14—C13	116.92 (16)	C55—C57—H57C	109.5
N2—C14—C15	110.20 (16)	H57A—C57—H57B	109.5
C15—C14—C13	132.88 (17)	H57A—C57—H57C	109.5
C14—C15—H15	126.7	H57B—C57—H57C	109.5
C16—C15—C14	106.58 (17)	C50—C58—H58	107.5
C16—C15—H15	126.7	C50—C58—C59	113.1 (2)
C15—C16—H16	126.5	C50—C58—C60	110.89 (19)
C15—C16—C17	107.06 (17)	C59—C58—H58	107.5
C17—C16—H16	126.5	C60—C58—H58	107.5
N2—C17—C16	110.27 (16)	C60—C58—C59	110.04 (19)
N2—C17—C18	120.88 (16)	C58—C59—H59A	109.5
C16—C17—C18	128.82 (17)	C58—C59—H59B	109.5
N3—C18—C17	122.39 (17)	C58—C59—H59C	109.5
N3—C18—H18	118.8	H59A—C59—H59B	109.5
C17—C18—H18	118.8	H59A—C59—H59C	109.5
C20—C19—N3	118.32 (17)	H59B—C59—H59C	109.5
C24—C19—N3	120.36 (18)	C58—C60—H60A	109.5
C24—C19—C20	121.25 (18)	C58—C60—H60B	109.5
C19—C20—C25	119.57 (18)	C58—C60—H60C	109.5
C21—C20—C19	117.90 (19)	H60A—C60—H60B	109.5
C21—C20—C25	122.53 (19)	H60A—C60—H60C	109.5
C20—C21—H21	119.3	H60B—C60—H60C	109.5
C22—C21—C20	121.4 (2)	C61—O1—Cr1	122.66 (14)
C22—C21—H21	119.3	C64—O1—Cr1	122.95 (16)
C21—C22—H22	120.1	C64—O1—C61	108.20 (19)
C21—C22—C23	119.8 (2)	O1—C61—H61A	110.7
C23—C22—H22	120.1	O1—C61—H61B	110.7
C22—C23—H23	119.4	O1—C61—C62	105.1 (2)
C22—C23—C24	121.2 (2)	H61A—C61—H61B	108.8
C24—C23—H23	119.4	C62—C61—H61A	110.7
C19—C24—C28	119.33 (18)	C62—C61—H61B	110.7
C23—C24—C19	118.4 (2)	C61—C62—H62A	111.4
C23—C24—C28	122.2 (2)	C61—C62—H62B	111.4
C20—C25—H25	106.8	C61—C62—C63	102.0 (2)
C20—C25—C26	114.36 (19)	H62A—C62—H62B	109.2
C20—C25—C27	111.16 (17)	C63—C62—H62A	111.4
C26—C25—H25	106.8	C63—C62—H62B	111.4
C26—C25—C27	110.58 (19)	C62—C63—H63A	111.4
C27—C25—H25	106.8	C62—C63—H63B	111.4
C25—C26—H26A	109.5	H63A—C63—H63B	109.3
C25—C26—H26B	109.5	C64—C63—C62	101.9 (2)
C25—C26—H26C	109.5	C64—C63—H63A	111.4
H26A—C26—H26B	109.5	C64—C63—H63B	111.4
H26A—C26—H26C	109.5	O1—C64—C63	106.8 (2)
H26B—C26—H26C	109.5	O1—C64—H64A	110.4
C25—C27—H27A	109.5	O1—C64—H64B	110.4
C25—C27—H27B	109.5	C63—C64—H64A	110.4
C25—C27—H27C	109.5	C63—C64—H64B	110.4
H27A—C27—H27B	109.5	H64A—C64—H64B	108.6
H27A—C27—H27C	109.5	C1A—Si—C2A	108.8 (9)
H27B—C27—H27C	109.5	C1A—Si—C3A	109.3 (8)
C24—C28—H28	107.0	C1A—Si—C4A	104.8 (9)
C24—C28—C29	110.53 (19)	C3A—Si—C2A	110.3 (8)
C24—C28—C30	114.3 (2)	C3A—Si—C4A	111.0 (8)
C29—C28—H28	107.0	C4A—Si—C2A	112.5 (8)
C29—C28—C30	110.6 (2)	Cr1—C1A—H1AA	104.1
C30—C28—H28	107.0	Cr1—C1A—H1AB	104.1
C28—C29—H29A	109.5	Si—C1A—Cr1	132.6 (11)
C28—C29—H29B	109.5	Si—C1A—H1AA	104.1
C28—C29—H29C	109.5	Si—C1A—H1AB	104.1
H29A—C29—H29B	109.5	H1AA—C1A—H1AB	105.5
H29A—C29—H29C	109.5	Si—C2A—H2AA	109.5
H29B—C29—H29C	109.5	Si—C2A—H2AB	109.5
C28—C30—H30A	109.5	Si—C2A—H2AC	109.5
C28—C30—H30B	109.5	H2AA—C2A—H2AB	109.5
C28—C30—H30C	109.5	H2AA—C2A—H2AC	109.5
H30A—C30—H30B	109.5	H2AB—C2A—H2AC	109.5
H30A—C30—H30C	109.5	Si—C3A—H3AA	109.5
H30B—C30—H30C	109.5	Si—C3A—H3AB	109.5
C32—C31—N4	120.51 (16)	Si—C3A—H3AC	109.5
C32—C31—C36	120.74 (17)	H3AA—C3A—H3AB	109.5
C36—C31—N4	118.64 (16)	H3AA—C3A—H3AC	109.5
C31—C32—C37	122.20 (17)	H3AB—C3A—H3AC	109.5
C33—C32—C31	118.25 (18)	Si—C4A—H4AA	109.5
C33—C32—C37	119.50 (17)	Si—C4A—H4AB	109.5
C32—C33—H33	119.2	Si—C4A—H4AC	109.5
C34—C33—C32	121.66 (19)	H4AA—C4A—H4AB	109.5
C34—C33—H33	119.2	H4AA—C4A—H4AC	109.5
C33—C34—H34	120.2	H4AB—C4A—H4AC	109.5
C33—C34—C35	119.60 (19)
Cr1—N1—C1—C2	88.33 (19)	C19—C20—C25—C26	−163.59 (19)
Cr1—N1—C1—C6	−86.8 (2)	C19—C20—C25—C27	70.3 (2)
Cr1—N1—C13—C14	−2.6 (2)	C19—C24—C28—C29	−74.6 (2)
Cr1—N2—C14—C13	3.2 (2)	C19—C24—C28—C30	159.8 (2)
Cr1—N2—C14—C15	−176.85 (12)	C20—C19—C24—C23	−1.1 (3)
Cr1—N2—C17—C16	175.81 (15)	C20—C19—C24—C28	179.04 (18)
Cr1—N2—C17—C18	−2.6 (3)	C20—C21—C22—C23	−0.1 (3)
Cr1—N4—C31—C32	111.05 (18)	C21—C20—C25—C26	16.1 (3)
Cr1—N4—C31—C36	−65.3 (2)	C21—C20—C25—C27	−110.0 (2)
Cr1—N4—C43—C44	−5.1 (2)	C21—C22—C23—C24	−0.2 (3)
Cr1—N5—C44—C43	6.5 (2)	C22—C23—C24—C19	0.8 (3)
Cr1—N5—C44—C45	−168.30 (12)	C22—C23—C24—C28	−179.4 (2)
Cr1—N5—C47—C46	167.53 (13)	C23—C24—C28—C29	105.6 (2)
Cr1—N5—C47—C48	−10.3 (2)	C23—C24—C28—C30	−20.1 (3)
Cr1—N6—C48—C47	8.0 (2)	C24—C19—C20—C21	0.9 (3)
Cr1—N6—C49—C50	−118.3 (2)	C24—C19—C20—C25	−179.43 (18)
Cr1—N6—C49—C54	57.2 (3)	C25—C20—C21—C22	−179.94 (19)
Cr1—O1—C61—C62	−138.96 (17)	C31—N4—C43—C44	−179.43 (16)
Cr1—O1—C64—C63	164.54 (18)	C31—C32—C33—C34	0.4 (3)
N1—C1—C2—C3	−176.35 (16)	C31—C32—C37—C38	−134.74 (19)
N1—C1—C2—C7	5.2 (3)	C31—C32—C37—C39	101.4 (2)
N1—C1—C6—C5	175.47 (17)	C31—C36—C40—C41	−90.2 (2)
N1—C1—C6—C10	−6.9 (3)	C31—C36—C40—C42	146.07 (19)
N1—C13—C14—N2	−0.4 (3)	C32—C31—C36—C35	0.3 (3)
N1—C13—C14—C15	179.6 (2)	C32—C31—C36—C40	175.61 (17)
N2—C14—C15—C16	−0.7 (2)	C32—C33—C34—C35	−0.2 (3)
N2—C17—C18—N3	179.13 (17)	C33—C32—C37—C38	48.1 (2)
N3—C19—C20—C21	177.78 (17)	C33—C32—C37—C39	−75.8 (2)
N3—C19—C20—C25	−2.5 (3)	C33—C34—C35—C36	0.1 (3)
N3—C19—C24—C23	−178.00 (18)	C34—C35—C36—C31	−0.1 (3)
N3—C19—C24—C28	2.2 (3)	C34—C35—C36—C40	−175.42 (19)
N4—C31—C32—C33	−176.68 (17)	C35—C36—C40—C41	85.0 (2)
N4—C31—C32—C37	6.1 (3)	C35—C36—C40—C42	−38.7 (3)
N4—C31—C36—C35	176.64 (17)	C36—C31—C32—C33	−0.4 (3)
N4—C31—C36—C40	−8.0 (3)	C36—C31—C32—C37	−177.63 (17)
N4—C43—C44—N5	0.9 (3)	C37—C32—C33—C34	177.65 (18)
N4—C43—C44—C45	174.45 (19)	C43—N4—C31—C32	−77.1 (2)
N5—C44—C45—C46	0.6 (2)	C43—N4—C31—C36	106.5 (2)
N5—C47—C48—N6	−2.1 (3)	C43—C44—C45—C46	−173.46 (19)
N6—C49—C50—C51	174.85 (17)	C44—N5—C47—C46	0.3 (2)
N6—C49—C50—C58	−7.1 (3)	C44—N5—C47—C48	−177.55 (16)
N6—C49—C54—C53	−175.06 (18)	C44—C45—C46—C47	−0.4 (2)
N6—C49—C54—C55	9.8 (3)	C45—C46—C47—N5	0.1 (2)
C1—N1—C13—C14	179.69 (17)	C45—C46—C47—C48	177.64 (18)
C1—C2—C3—C4	1.2 (3)	C46—C47—C48—N6	−179.41 (19)
C1—C2—C7—C8	−145.58 (19)	C47—N5—C44—C43	174.26 (16)
C1—C2—C7—C9	91.0 (2)	C47—N5—C44—C45	−0.5 (2)
C1—C6—C10—C11	−104.7 (2)	C48—N6—C49—C50	67.5 (3)
C1—C6—C10—C12	131.8 (2)	C48—N6—C49—C54	−117.0 (2)
C2—C1—C6—C5	0.5 (3)	C49—N6—C48—C47	−175.83 (17)
C2—C1—C6—C10	178.15 (19)	C49—C50—C51—C52	0.0 (3)
C2—C3—C4—C5	−0.3 (3)	C49—C50—C58—C59	130.3 (2)
C3—C2—C7—C8	36.0 (3)	C49—C50—C58—C60	−105.6 (2)
C3—C2—C7—C9	−87.4 (2)	C49—C54—C55—C56	81.5 (2)
C3—C4—C5—C6	−0.5 (3)	C49—C54—C55—C57	−154.9 (2)
C4—C5—C6—C1	0.4 (3)	C50—C49—C54—C53	0.5 (3)
C4—C5—C6—C10	−177.3 (2)	C50—C49—C54—C55	−174.62 (18)
C5—C6—C10—C11	73.0 (3)	C50—C51—C52—C53	0.7 (3)
C5—C6—C10—C12	−50.6 (3)	C51—C50—C58—C59	−51.7 (3)
C6—C1—C2—C3	−1.3 (3)	C51—C50—C58—C60	72.4 (2)
C6—C1—C2—C7	−179.75 (18)	C51—C52—C53—C54	−0.8 (3)
C7—C2—C3—C4	179.69 (18)	C52—C53—C54—C49	0.2 (3)
C13—N1—C1—C2	−94.3 (2)	C52—C53—C54—C55	175.2 (2)
C13—N1—C1—C6	90.6 (2)	C53—C54—C55—C56	−93.4 (2)
C13—C14—C15—C16	179.3 (2)	C53—C54—C55—C57	30.2 (3)
C14—N2—C17—C16	0.0 (2)	C54—C49—C50—C51	−0.5 (3)
C14—N2—C17—C18	−178.46 (16)	C54—C49—C50—C58	177.45 (19)
C14—C15—C16—C17	0.6 (2)	C58—C50—C51—C52	−178.1 (2)
C15—C16—C17—N2	−0.4 (2)	O1—C61—C62—C63	−33.4 (3)
C15—C16—C17—C18	177.88 (18)	C61—O1—C64—C63	11.7 (3)
C16—C17—C18—N3	1.0 (3)	C61—C62—C63—C64	39.7 (3)
C17—N2—C14—C13	−179.55 (16)	C62—C63—C64—O1	−32.2 (3)
C17—N2—C14—C15	0.4 (2)	C64—O1—C61—C62	14.0 (3)
C18—N3—C19—C20	86.2 (2)	C2A—Si—C1A—Cr1	−179.1 (13)
C18—N3—C19—C24	−96.8 (2)	C3A—Si—C1A—Cr1	−58.6 (16)
C19—N3—C18—C17	−175.12 (16)	C4A—Si—C1A—Cr1	60.4 (16)
C19—C20—C21—C22	−0.2 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C18—H18···N5	0.95	2.43	3.232 (2)	142
C1A—H1AB···N6	0.99	2.09	2.820 (19)	130