Non-merohedrally twinned mer-trichloro­(dimethyl sulfoxide-κS)(1,10-phenanthroline)ruthenium(III) chloro­form solvate, with Z′ = 6

Spek, A.L.; Tooke, D.M.; Garza-Ortiz, A.; Reedijk, J.

doi:10.1107/S1600536805034756

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Non-merohedrally twinned mer-trichloro(dimethyl sulfoxide-κS)(1,10-phenanthroline)ruthenium(III) chloroform solvate, with Z′ = 6

A. L. Spek, D. M. Tooke, A. Garza-Ortiz and J. Reedijk

The title compound, [RuCl₃(C₁₂H₈N₂)(C₂H₆OS)]·CHCl₃, contains six crystallographically independent formula units in the asymmetric cell. The structure features alternating layers of the main molecule and CHCl₃ arranged parallel to (011).

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805034756/hb6296sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805034756/hb6296Isup2.hkl Contains datablock I

CCDC reference: 289762

checkCIF report

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.012 Å
R factor = 0.046
wR factor = 0.134
Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.60 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ru2    -   Cl6     ..       5.31 su
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C87
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C88
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C89
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C90
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.09
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.490     0.850
            Tmin(prime) and Tmax expected:      0.604     0.892
            RR(prime) =      0.851
            Please check that your absorption correction is appropriate.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Hooft, 1998); cell refinement: DIRAX (Duisenberg, 1992); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: DIRDIF99 (Beurskens et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.

mer-trichloro(dimethyl sulfoxide-κS)(-1,10-phenanthroline)ruthenium(III) chloroform solvate top

Crystal data top

[RuCl₃(C₁₂H₈N₂)(C₂H₆OS)]·CHCl₃	Z = 12
M_r = 585.12	F(000) = 3468
Triclinic, P1	Least Squares Treatment of 25 SET4 setting angles.
Hall symbol: -P 1	D_x = 1.874 Mg m⁻³
a = 13.8023 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 19.731 (3) Å	Cell parameters from 290 reflections
c = 25.597 (3) Å	θ = 4.0–25.0°
α = 75.823 (9)°	µ = 1.64 mm⁻¹
β = 74.676 (10)°	T = 150 K
γ = 69.907 (8)°	Block, orange–red
V = 6221.8 (15) Å³	0.30 × 0.25 × 0.07 mm

Data collection top

Nonius KappaCCD diffractometer	21950 independent reflections
Radiation source: Rotating Anode	14784 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.086
Detector resolution: 18.4 pixels mm^-1	θ_max = 25.0°, θ_min = 1.5°
φ and ω scans	h = −16→16
Absorption correction: analytical (de Meulenaer & Tompa, 1965)	k = −23→23
T_min = 0.490, T_max = 0.850	l = −30→30
125300 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.134	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.0508P)² + 19.2712P] where P = (F_o² + 2F_c²)/3
21950 reflections	(Δ/σ)_max = 0.003
1418 parameters	Δρ_max = 2.10 e Å⁻³
72 restraints	Δρ_min = −1.49 e Å⁻³

Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F² for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating -R-factor-obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ru1	0.08844 (5)	0.78926 (3)	0.42784 (3)	0.0169 (2)
Cl1	−0.08627 (16)	0.78921 (11)	0.46058 (9)	0.0263 (7)
Cl2	0.25965 (15)	0.79395 (10)	0.38630 (8)	0.0207 (6)
Cl3	0.14449 (17)	0.71034 (10)	0.50574 (8)	0.0260 (6)
S1	0.05560 (16)	0.88453 (10)	0.47327 (8)	0.0207 (6)
O1	−0.0044 (5)	0.9576 (3)	0.4475 (2)	0.0287 (19)
N1	0.0461 (5)	0.8489 (3)	0.3526 (3)	0.0179 (19)
N2	0.1177 (5)	0.7034 (3)	0.3851 (3)	0.0183 (19)
C1	0.0104 (6)	0.9201 (4)	0.3382 (3)	0.023 (3)
C2	−0.0073 (6)	0.9532 (4)	0.2852 (3)	0.023 (3)
C3	0.0156 (6)	0.9102 (4)	0.2458 (3)	0.024 (3)
C4	0.0825 (6)	0.7835 (5)	0.2229 (4)	0.026 (3)
C5	0.1154 (7)	0.7100 (5)	0.2391 (3)	0.028 (3)
C6	0.1604 (6)	0.6041 (5)	0.3147 (4)	0.029 (3)
C7	0.1698 (6)	0.5807 (4)	0.3688 (4)	0.025 (3)
C8	0.1494 (7)	0.6314 (4)	0.4025 (4)	0.027 (3)
C9	0.0557 (6)	0.8332 (4)	0.2605 (3)	0.020 (2)
C10	0.0677 (6)	0.8053 (4)	0.3147 (3)	0.018 (2)
C11	0.1275 (6)	0.6789 (4)	0.2950 (3)	0.023 (3)
C12	0.1051 (6)	0.7276 (4)	0.3319 (3)	0.020 (2)
C13	0.1722 (7)	0.8918 (5)	0.4852 (4)	0.032 (3)
C14	−0.0152 (7)	0.8702 (5)	0.5417 (3)	0.030 (3)
Ru2	0.10056 (5)	0.44775 (3)	0.76610 (3)	0.0153 (2)
Cl4	−0.07581 (15)	0.44966 (11)	0.79744 (9)	0.0258 (6)
Cl5	0.27205 (14)	0.45183 (10)	0.72526 (8)	0.0196 (5)
Cl6	0.15388 (16)	0.36623 (10)	0.84335 (8)	0.0233 (6)
S2	0.06864 (16)	0.54082 (10)	0.81317 (8)	0.0201 (6)
O2	0.0088 (5)	0.6145 (3)	0.7882 (2)	0.0323 (19)
N3	0.0620 (5)	0.5101 (3)	0.6905 (3)	0.0179 (17)
N4	0.1252 (5)	0.3638 (3)	0.7227 (3)	0.0188 (19)
C15	0.0364 (6)	0.5814 (4)	0.6759 (3)	0.020 (2)
C16	0.0196 (6)	0.6164 (4)	0.6227 (3)	0.024 (3)
C17	0.0303 (6)	0.5742 (5)	0.5848 (3)	0.025 (3)
C18	0.0760 (7)	0.4489 (5)	0.5630 (3)	0.028 (3)
C19	0.1057 (6)	0.3748 (5)	0.5783 (4)	0.027 (3)
C20	0.1545 (6)	0.2666 (4)	0.6525 (4)	0.026 (3)
C21	0.1706 (6)	0.2420 (5)	0.7051 (4)	0.030 (3)
C22	0.1550 (6)	0.2922 (4)	0.7399 (4)	0.021 (3)
C23	0.0594 (6)	0.4965 (4)	0.5995 (3)	0.023 (3)
C24	0.0753 (6)	0.4666 (4)	0.6536 (3)	0.017 (2)
C25	0.1217 (6)	0.3425 (4)	0.6336 (3)	0.022 (3)
C26	0.1069 (6)	0.3887 (4)	0.6709 (3)	0.019 (3)
C27	0.0001 (7)	0.5231 (5)	0.8817 (3)	0.031 (3)
C28	0.1856 (7)	0.5472 (5)	0.8257 (4)	0.029 (3)
Ru3	0.07990 (5)	0.13242 (4)	0.09285 (3)	0.0164 (2)
Cl7	−0.09222 (15)	0.12605 (11)	0.12635 (9)	0.0260 (6)
Cl8	0.24922 (15)	0.14025 (10)	0.05103 (8)	0.0223 (6)
Cl9	0.13627 (16)	0.05620 (10)	0.17238 (8)	0.0246 (6)
S3	0.04739 (16)	0.23061 (10)	0.13515 (8)	0.0199 (6)
O3	0.0002 (5)	0.3047 (3)	0.1057 (2)	0.0280 (19)
N5	0.0377 (5)	0.1892 (3)	0.0176 (2)	0.0156 (17)
N6	0.1112 (5)	0.0445 (3)	0.0519 (3)	0.022 (2)
C29	−0.0007 (6)	0.2602 (4)	0.0021 (3)	0.019 (2)
C30	−0.0153 (6)	0.2913 (4)	−0.0514 (3)	0.023 (3)
C31	0.0116 (7)	0.2465 (5)	−0.0900 (4)	0.028 (3)
C32	0.0826 (7)	0.1187 (5)	−0.1120 (3)	0.026 (3)
C33	0.1167 (6)	0.0460 (5)	−0.0946 (3)	0.027 (3)
C34	0.1586 (6)	−0.0577 (5)	−0.0164 (4)	0.030 (3)
C35	0.1673 (7)	−0.0790 (4)	0.0374 (4)	0.032 (3)
C36	0.1420 (6)	−0.0263 (4)	0.0710 (4)	0.024 (3)
C37	0.0516 (6)	0.1697 (5)	−0.0747 (3)	0.023 (3)
C38	0.0618 (6)	0.1444 (4)	−0.0196 (3)	0.018 (3)
C39	0.1245 (6)	0.0170 (4)	−0.0375 (4)	0.026 (3)
C40	0.0996 (6)	0.0671 (4)	−0.0018 (3)	0.021 (3)
C41	−0.0347 (7)	0.2216 (4)	0.2016 (3)	0.025 (3)
C42	0.1620 (7)	0.2321 (5)	0.1537 (4)	0.030 (3)
Ru4	0.41678 (5)	−0.00821 (3)	0.77886 (3)	0.0179 (2)
Cl10	0.58916 (15)	−0.05302 (11)	0.79458 (8)	0.0249 (6)
Cl11	0.24723 (15)	0.04687 (10)	0.76041 (9)	0.0251 (6)
Cl12	0.35876 (16)	−0.08839 (10)	0.85572 (8)	0.0245 (6)
S4	0.44770 (17)	−0.09573 (11)	0.72626 (9)	0.0235 (6)
O4	0.4923 (5)	−0.0800 (3)	0.6670 (2)	0.0310 (19)
N7	0.4589 (5)	0.0728 (3)	0.7177 (3)	0.021 (2)
N8	0.3882 (5)	0.0742 (3)	0.8245 (3)	0.0163 (19)
C43	0.4950 (6)	0.0720 (5)	0.6627 (3)	0.025 (3)
C44	0.5095 (7)	0.1331 (5)	0.6264 (4)	0.029 (3)
C45	0.4888 (6)	0.1974 (5)	0.6432 (4)	0.026 (3)
C46	0.4271 (6)	0.2665 (4)	0.7218 (4)	0.026 (3)
C47	0.3939 (6)	0.2658 (4)	0.7768 (4)	0.024 (3)
C48	0.3481 (6)	0.1970 (4)	0.8708 (3)	0.021 (2)
C49	0.3370 (6)	0.1328 (4)	0.9033 (3)	0.022 (2)
C50	0.3573 (6)	0.0721 (4)	0.8782 (3)	0.020 (2)
C51	0.4523 (6)	0.2007 (4)	0.6990 (4)	0.022 (3)
C52	0.4388 (6)	0.1378 (4)	0.7345 (3)	0.018 (3)
C53	0.3815 (6)	0.2014 (4)	0.8137 (3)	0.019 (3)
C54	0.4022 (6)	0.1375 (4)	0.7924 (3)	0.015 (2)
C55	0.5288 (8)	−0.1812 (5)	0.7545 (4)	0.039 (3)
C56	0.3316 (7)	−0.1202 (5)	0.7319 (4)	0.034 (3)
Ru5	0.41402 (5)	0.67031 (3)	0.11497 (3)	0.0178 (2)
Cl13	0.58891 (16)	0.62844 (11)	0.12554 (9)	0.0253 (6)
Cl14	0.24226 (15)	0.72298 (11)	0.09843 (8)	0.0233 (6)
Cl15	0.35949 (17)	0.59219 (11)	0.19373 (8)	0.0257 (6)
S5	0.44814 (17)	0.57721 (11)	0.06726 (9)	0.0230 (6)
O5	0.5053 (5)	0.5871 (3)	0.0101 (2)	0.0305 (19)
N9	0.4537 (5)	0.7506 (3)	0.0513 (3)	0.020 (2)
N10	0.3840 (5)	0.7569 (3)	0.1572 (3)	0.0172 (19)
C57	0.4937 (6)	0.7460 (4)	−0.0023 (3)	0.022 (3)
C58	0.5103 (6)	0.8067 (5)	−0.0408 (3)	0.027 (3)
C59	0.4852 (6)	0.8730 (4)	−0.0263 (3)	0.023 (3)
C60	0.4140 (6)	0.9479 (4)	0.0498 (4)	0.026 (3)
C61	0.3785 (6)	0.9497 (4)	0.1045 (4)	0.024 (3)
C62	0.3352 (6)	0.8836 (4)	0.1998 (3)	0.023 (3)
C63	0.3274 (6)	0.8198 (5)	0.2333 (4)	0.026 (3)
C64	0.3515 (6)	0.7566 (4)	0.2108 (4)	0.024 (3)
C65	0.4431 (6)	0.8803 (4)	0.0290 (3)	0.022 (3)
C66	0.4310 (6)	0.8178 (4)	0.0657 (3)	0.019 (3)
C67	0.3693 (6)	0.8861 (4)	0.1427 (3)	0.020 (3)
C68	0.3938 (6)	0.8201 (4)	0.1229 (3)	0.020 (3)
C69	0.5200 (8)	0.4910 (4)	0.1005 (4)	0.038 (3)
C70	0.3323 (8)	0.5561 (5)	0.0678 (4)	0.040 (3)
Ru6	0.40047 (5)	0.33274 (3)	0.45561 (3)	0.0163 (2)
Cl16	0.57759 (15)	0.28987 (10)	0.46330 (9)	0.0241 (6)
Cl17	0.22858 (15)	0.38574 (10)	0.43968 (8)	0.0215 (6)
Cl18	0.34898 (16)	0.25652 (10)	0.53594 (8)	0.0230 (6)
S6	0.43256 (16)	0.23844 (11)	0.40950 (8)	0.0220 (6)
O6	0.4919 (5)	0.2479 (3)	0.3526 (2)	0.0344 (19)
N11	0.4355 (5)	0.4128 (3)	0.3900 (2)	0.0161 (17)
N12	0.3766 (5)	0.4192 (3)	0.4967 (3)	0.018 (2)
C71	0.4643 (6)	0.4096 (4)	0.3350 (3)	0.023 (2)
C72	0.4795 (6)	0.4696 (5)	0.2964 (3)	0.025 (3)
C73	0.4678 (6)	0.5334 (4)	0.3111 (3)	0.023 (3)
C74	0.4192 (6)	0.6061 (4)	0.3867 (4)	0.023 (3)
C75	0.3894 (6)	0.6085 (4)	0.4416 (4)	0.025 (3)
C76	0.3433 (6)	0.5446 (4)	0.5377 (3)	0.022 (2)
C77	0.3307 (6)	0.4819 (4)	0.5724 (3)	0.024 (3)
C78	0.3472 (6)	0.4197 (4)	0.5508 (3)	0.023 (3)
C79	0.4383 (6)	0.5390 (4)	0.3668 (3)	0.021 (2)
C80	0.4233 (6)	0.4774 (4)	0.4056 (3)	0.022 (3)
C81	0.3746 (6)	0.5458 (4)	0.4807 (4)	0.022 (3)
C82	0.3909 (6)	0.4814 (4)	0.4618 (3)	0.019 (2)
C83	0.5007 (7)	0.1520 (4)	0.4445 (4)	0.034 (3)
C84	0.3172 (7)	0.2187 (5)	0.4091 (4)	0.032 (3)
Cl19	0.72798 (17)	0.25962 (12)	0.03155 (9)	0.0332 (7)
Cl20	0.7503 (2)	0.32385 (14)	0.11509 (12)	0.0517 (9)
Cl21	0.55386 (18)	0.29876 (12)	0.12049 (10)	0.0418 (7)
C85	0.6923 (7)	0.2666 (5)	0.1006 (4)	0.033 (3)
Cl22	0.23043 (18)	−0.03513 (12)	0.32901 (10)	0.0351 (7)
Cl23	0.0599 (2)	0.09880 (15)	0.32169 (10)	0.0538 (9)
Cl24	0.2538 (2)	0.09629 (17)	0.34443 (14)	0.0652 (11)
C86	0.1974 (7)	0.0602 (5)	0.3094 (4)	0.036 (3)
Cl25	0.8185 (3)	0.21264 (16)	0.34312 (14)	0.0795 (11)
Cl26	0.6950 (2)	0.30013 (13)	0.26188 (10)	0.0435 (8)
Cl27	0.7398 (2)	0.37051 (14)	0.33425 (10)	0.0468 (9)
C87	0.7151 (7)	0.2912 (4)	0.3285 (4)	0.036 (3)
Cl28	0.1791 (3)	0.3553 (2)	−0.01038 (13)	0.0909 (16)
Cl29	0.27007 (18)	0.38419 (13)	0.06771 (10)	0.0389 (8)
Cl30	0.1852 (3)	0.50198 (17)	−0.01503 (12)	0.0667 (11)
C88	0.2497 (8)	0.4060 (5)	0.0001 (4)	0.038 (3)
Cl31	0.22995 (18)	−0.05040 (12)	0.60042 (10)	0.0396 (8)
Cl32	0.3182 (3)	0.02181 (17)	0.49599 (15)	0.0825 (11)
Cl33	0.3126 (4)	0.06654 (18)	0.5959 (2)	0.113 (2)
C89	0.2478 (8)	0.0341 (5)	0.5638 (4)	0.047 (4)
Cl34	0.3226 (3)	0.36892 (19)	0.19426 (12)	0.0850 (11)
Cl35	0.1976 (2)	0.28486 (13)	0.27566 (11)	0.0476 (9)
Cl36	0.2359 (2)	0.40470 (13)	0.30326 (10)	0.0448 (9)
C90	0.2159 (8)	0.3719 (5)	0.2504 (4)	0.041 (3)
H1	−0.00410	0.95030	0.36470	0.0280*
H2	−0.03490	1.00490	0.27640	0.0280*
H3	0.00480	0.93180	0.20950	0.0290*
H4	0.07710	0.80260	0.18560	0.0310*
H5	0.13060	0.67850	0.21330	0.0330*
H6	0.17600	0.56970	0.29110	0.0340*
H7	0.19030	0.52980	0.38310	0.0300*
H8	0.15840	0.61400	0.43940	0.0310*
H13A	0.21740	0.90390	0.45000	0.0480*
H13B	0.20960	0.84500	0.50520	0.0480*
H13C	0.15390	0.93040	0.50710	0.0480*
H14A	−0.02930	0.91290	0.55870	0.0460*
H14B	0.02650	0.82650	0.56280	0.0460*
H14C	−0.08200	0.86320	0.54140	0.0460*
H15	0.02910	0.61050	0.70210	0.0240*
H16	0.00100	0.66820	0.61310	0.0280*
H17	0.01840	0.59690	0.54890	0.0300*
H18	0.06610	0.46920	0.52640	0.0330*
H19	0.11600	0.34430	0.55260	0.0320*
H20	0.16540	0.23300	0.62900	0.0320*
H21	0.19230	0.19090	0.71840	0.0360*
H22	0.16620	0.27400	0.77650	0.0250*
H27A	−0.01620	0.56530	0.89960	0.0460*
H27B	0.04400	0.47970	0.90190	0.0460*
H27C	−0.06550	0.51430	0.88140	0.0460*
H28A	0.22990	0.56130	0.79070	0.0430*
H28B	0.22400	0.49960	0.84430	0.0430*
H28C	0.16740	0.58410	0.84910	0.0430*
H29	−0.01920	0.29140	0.02830	0.0220*
H30	−0.04350	0.34280	−0.06110	0.0270*
H31	0.00320	0.26720	−0.12670	0.0330*
H32	0.07900	0.13670	−0.14970	0.0320*
H33	0.13590	0.01340	−0.12000	0.0320*
H34	0.17560	−0.09310	−0.03920	0.0350*
H35	0.19040	−0.12970	0.05220	0.0380*
H36	0.14740	−0.04220	0.10850	0.0290*
H41A	−0.03750	0.25980	0.22080	0.0380*
H41B	−0.00590	0.17340	0.22280	0.0380*
H41C	−0.10580	0.22680	0.19780	0.0380*
H42A	0.21390	0.24080	0.12040	0.0450*
H42B	0.19200	0.18490	0.17590	0.0450*
H42C	0.14330	0.27130	0.17500	0.0450*
H43	0.51040	0.02790	0.64930	0.0300*
H44	0.53480	0.13030	0.58850	0.0350*
H45	0.49880	0.23940	0.61750	0.0310*
H46	0.43380	0.31060	0.69800	0.0310*
H47	0.37870	0.30950	0.79090	0.0280*
H48	0.33310	0.23880	0.88700	0.0250*
H49	0.31590	0.12920	0.94210	0.0260*
H50	0.34850	0.02770	0.90070	0.0240*
H55A	0.53730	−0.21850	0.73300	0.0580*
H55B	0.49590	−0.19560	0.79270	0.0580*
H55C	0.59790	−0.17670	0.75340	0.0580*
H56A	0.27880	−0.07780	0.71640	0.0510*
H56B	0.30360	−0.13590	0.77070	0.0510*
H56C	0.34900	−0.16040	0.71170	0.0510*
H57	0.51100	0.70040	−0.01410	0.0260*
H58	0.53990	0.80130	−0.07810	0.0320*
H59	0.49600	0.91390	−0.05300	0.0280*
H60	0.41970	0.99150	0.02500	0.0300*
H61	0.35950	0.99470	0.11720	0.0290*
H62	0.31760	0.92670	0.21510	0.0270*
H63	0.30550	0.81800	0.27190	0.0310*
H64	0.34450	0.71250	0.23450	0.0290*
H69A	0.52780	0.45250	0.08030	0.0560*
H69B	0.48200	0.48030	0.13820	0.0560*
H69C	0.58980	0.49270	0.10120	0.0560*
H70A	0.28480	0.59850	0.04880	0.0600*
H70B	0.29700	0.54390	0.10590	0.0600*
H70C	0.35140	0.51420	0.04900	0.0600*
H71	0.47400	0.36530	0.32310	0.0270*
H72	0.49870	0.46570	0.25860	0.0310*
H73	0.47930	0.57400	0.28410	0.0270*
H74	0.42740	0.64870	0.36130	0.0270*
H75	0.37830	0.65270	0.45400	0.0300*
H76	0.33080	0.58740	0.55220	0.0260*
H77	0.31080	0.48090	0.61100	0.0290*
H78	0.33730	0.37660	0.57500	0.0280*
H83A	0.51710	0.11430	0.42210	0.0510*
H83B	0.45610	0.13950	0.47990	0.0510*
H83C	0.56610	0.15500	0.45070	0.0510*
H84A	0.27260	0.26040	0.38790	0.0480*
H84B	0.27870	0.20970	0.44700	0.0480*
H84C	0.33630	0.17510	0.39230	0.0480*
H85	0.71740	0.21670	0.12240	0.0400*
H86	0.22560	0.07190	0.26910	0.0440*
H87	0.64940	0.28660	0.35540	0.0440*
H88	0.32000	0.39480	−0.02520	0.0450*
H89	0.17710	0.07060	0.56150	0.0570*
H90	0.15070	0.40610	0.23780	0.0480*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ru1	0.0171 (3)	0.0150 (3)	0.0173 (3)	−0.0030 (3)	−0.0016 (3)	−0.0051 (3)
Cl1	0.0205 (11)	0.0260 (11)	0.0320 (12)	−0.0075 (9)	0.0033 (9)	−0.0126 (9)
Cl2	0.0175 (10)	0.0185 (9)	0.0230 (10)	−0.0046 (8)	−0.0012 (8)	−0.0024 (8)
Cl3	0.0299 (12)	0.0185 (10)	0.0246 (11)	−0.0024 (8)	−0.0054 (9)	−0.0016 (8)
S1	0.0255 (11)	0.0169 (10)	0.0180 (10)	0.0005 (8)	−0.0079 (9)	−0.0060 (8)
O1	0.047 (4)	0.018 (3)	0.019 (3)	−0.001 (3)	−0.015 (3)	−0.003 (2)
N1	0.014 (3)	0.023 (4)	0.017 (3)	−0.007 (3)	−0.002 (3)	−0.003 (3)
N2	0.015 (3)	0.017 (3)	0.022 (4)	−0.003 (3)	−0.001 (3)	−0.007 (3)
C1	0.022 (4)	0.024 (4)	0.025 (5)	−0.007 (4)	−0.001 (4)	−0.013 (4)
C2	0.020 (4)	0.022 (4)	0.025 (5)	−0.002 (3)	−0.008 (4)	−0.003 (4)
C3	0.027 (5)	0.027 (5)	0.021 (4)	−0.011 (4)	−0.009 (4)	0.001 (4)
C4	0.016 (4)	0.038 (5)	0.028 (5)	−0.004 (4)	−0.009 (4)	−0.013 (4)
C5	0.024 (5)	0.038 (5)	0.024 (5)	−0.005 (4)	−0.002 (4)	−0.020 (4)
C6	0.018 (4)	0.037 (5)	0.034 (5)	−0.008 (4)	0.003 (4)	−0.021 (4)
C7	0.015 (4)	0.016 (4)	0.043 (6)	−0.002 (3)	−0.004 (4)	−0.009 (4)
C8	0.026 (5)	0.018 (4)	0.033 (5)	−0.007 (4)	−0.003 (4)	−0.002 (4)
C9	0.021 (4)	0.024 (4)	0.019 (4)	−0.009 (4)	−0.005 (3)	−0.004 (3)
C10	0.013 (4)	0.020 (4)	0.021 (4)	−0.005 (3)	−0.003 (3)	−0.003 (3)
C11	0.016 (4)	0.023 (4)	0.031 (5)	−0.005 (3)	0.000 (4)	−0.013 (4)
C12	0.011 (4)	0.027 (4)	0.021 (4)	−0.004 (3)	0.002 (3)	−0.011 (4)
C13	0.041 (6)	0.030 (5)	0.034 (5)	−0.008 (4)	−0.012 (4)	−0.021 (4)
C14	0.038 (5)	0.029 (5)	0.017 (4)	−0.003 (4)	0.001 (4)	−0.008 (4)
Ru2	0.0142 (3)	0.0136 (3)	0.0164 (3)	−0.0009 (3)	−0.0032 (3)	−0.0038 (2)
Cl4	0.0161 (10)	0.0260 (10)	0.0350 (12)	−0.0032 (8)	−0.0018 (9)	−0.0126 (9)
Cl5	0.0159 (9)	0.0175 (9)	0.0223 (10)	−0.0028 (7)	−0.0016 (8)	−0.0034 (7)
Cl6	0.0230 (10)	0.0201 (10)	0.0221 (10)	−0.0022 (8)	−0.0032 (8)	−0.0027 (8)
S2	0.0221 (10)	0.0151 (9)	0.0218 (10)	0.0015 (8)	−0.0075 (8)	−0.0075 (8)
O2	0.050 (4)	0.013 (3)	0.028 (3)	0.007 (3)	−0.021 (3)	−0.002 (2)
N3	0.011 (3)	0.018 (3)	0.019 (3)	0.002 (3)	−0.005 (3)	0.000 (3)
N4	0.016 (3)	0.018 (3)	0.020 (4)	−0.002 (3)	−0.003 (3)	−0.004 (3)
C15	0.021 (4)	0.018 (4)	0.019 (4)	−0.002 (3)	−0.007 (3)	−0.002 (3)
C16	0.020 (4)	0.018 (4)	0.037 (5)	−0.002 (3)	−0.011 (4)	−0.009 (4)
C17	0.021 (4)	0.034 (5)	0.018 (4)	−0.008 (4)	−0.001 (3)	−0.003 (4)
C18	0.027 (5)	0.041 (5)	0.016 (4)	−0.013 (4)	−0.002 (4)	−0.006 (4)
C19	0.023 (5)	0.034 (5)	0.028 (5)	−0.013 (4)	0.002 (4)	−0.015 (4)
C20	0.019 (4)	0.022 (4)	0.040 (6)	−0.004 (3)	−0.004 (4)	−0.014 (4)
C21	0.020 (5)	0.024 (5)	0.042 (6)	−0.008 (4)	0.006 (4)	−0.010 (4)
C22	0.016 (4)	0.010 (4)	0.034 (5)	−0.004 (3)	−0.003 (4)	−0.002 (3)
C23	0.015 (4)	0.022 (4)	0.029 (5)	−0.002 (3)	−0.003 (4)	−0.006 (4)
C24	0.015 (4)	0.025 (4)	0.012 (4)	−0.005 (3)	−0.003 (3)	−0.004 (3)
C25	0.016 (4)	0.028 (4)	0.027 (5)	−0.009 (4)	0.001 (4)	−0.015 (4)
C26	0.014 (4)	0.015 (4)	0.026 (5)	−0.001 (3)	0.001 (3)	−0.008 (3)
C27	0.035 (5)	0.036 (5)	0.025 (5)	−0.013 (4)	0.002 (4)	−0.017 (4)
C28	0.034 (5)	0.026 (5)	0.034 (5)	−0.012 (4)	−0.008 (4)	−0.014 (4)
Ru3	0.0141 (3)	0.0149 (3)	0.0180 (3)	−0.0013 (3)	−0.0008 (3)	−0.0056 (3)
Cl7	0.0139 (10)	0.0242 (10)	0.0383 (12)	−0.0046 (8)	0.0011 (9)	−0.0108 (9)
Cl8	0.0153 (10)	0.0244 (10)	0.0257 (11)	−0.0035 (8)	0.0004 (8)	−0.0098 (8)
Cl9	0.0261 (11)	0.0172 (9)	0.0228 (10)	0.0017 (8)	−0.0043 (8)	−0.0022 (8)
S3	0.0230 (11)	0.0159 (10)	0.0187 (10)	−0.0021 (8)	−0.0014 (8)	−0.0075 (8)
O3	0.044 (4)	0.016 (3)	0.021 (3)	−0.002 (3)	−0.011 (3)	−0.003 (2)
N5	0.013 (3)	0.015 (3)	0.015 (3)	0.003 (3)	−0.004 (3)	−0.005 (3)
N6	0.016 (4)	0.010 (3)	0.033 (4)	0.000 (3)	0.000 (3)	−0.002 (3)
C29	0.016 (4)	0.017 (4)	0.020 (4)	−0.004 (3)	0.002 (3)	−0.005 (3)
C30	0.020 (4)	0.022 (4)	0.025 (5)	−0.001 (3)	−0.007 (4)	−0.005 (3)
C31	0.028 (5)	0.031 (5)	0.026 (5)	−0.011 (4)	−0.005 (4)	−0.004 (4)
C32	0.024 (5)	0.033 (5)	0.020 (5)	−0.006 (4)	−0.004 (4)	−0.006 (4)
C33	0.017 (4)	0.039 (5)	0.027 (5)	−0.005 (4)	−0.005 (4)	−0.016 (4)
C34	0.015 (4)	0.030 (5)	0.045 (6)	−0.002 (4)	0.000 (4)	−0.022 (4)
C35	0.020 (5)	0.012 (4)	0.061 (7)	0.000 (3)	−0.003 (4)	−0.014 (4)
C36	0.020 (4)	0.014 (4)	0.033 (5)	−0.002 (3)	−0.001 (4)	−0.003 (3)
C37	0.016 (4)	0.034 (5)	0.018 (4)	−0.004 (4)	−0.002 (3)	−0.011 (4)
C38	0.016 (4)	0.015 (4)	0.025 (5)	−0.005 (3)	−0.008 (3)	0.000 (3)
C39	0.016 (4)	0.020 (4)	0.042 (5)	−0.004 (3)	0.001 (4)	−0.017 (4)
C40	0.017 (4)	0.022 (4)	0.028 (5)	−0.007 (3)	−0.004 (4)	−0.009 (4)
C41	0.032 (5)	0.023 (4)	0.015 (4)	−0.001 (4)	0.001 (3)	−0.010 (3)
C42	0.028 (5)	0.030 (5)	0.037 (5)	−0.007 (4)	−0.008 (4)	−0.016 (4)
Ru4	0.0175 (3)	0.0125 (3)	0.0247 (4)	−0.0012 (3)	−0.0038 (3)	−0.0099 (3)
Cl10	0.0182 (10)	0.0246 (10)	0.0313 (11)	−0.0016 (8)	−0.0043 (9)	−0.0114 (9)
Cl11	0.0196 (10)	0.0201 (10)	0.0352 (12)	−0.0016 (8)	−0.0067 (9)	−0.0087 (8)
Cl12	0.0280 (11)	0.0191 (9)	0.0259 (11)	−0.0062 (8)	−0.0033 (9)	−0.0065 (8)
S4	0.0292 (12)	0.0177 (10)	0.0250 (11)	−0.0028 (9)	−0.0069 (9)	−0.0105 (8)
O4	0.042 (4)	0.030 (3)	0.023 (3)	−0.010 (3)	−0.002 (3)	−0.014 (3)
N7	0.021 (4)	0.020 (3)	0.024 (4)	−0.002 (3)	−0.006 (3)	−0.014 (3)
N8	0.016 (3)	0.010 (3)	0.024 (4)	0.000 (3)	−0.008 (3)	−0.006 (3)
C43	0.027 (5)	0.032 (5)	0.015 (4)	−0.004 (4)	0.001 (4)	−0.015 (4)
C44	0.032 (5)	0.035 (5)	0.027 (5)	−0.011 (4)	−0.012 (4)	−0.008 (4)
C45	0.015 (4)	0.029 (5)	0.030 (5)	−0.006 (4)	−0.001 (4)	−0.001 (4)
C46	0.018 (4)	0.014 (4)	0.043 (5)	−0.002 (3)	0.000 (4)	−0.011 (4)
C47	0.015 (4)	0.013 (4)	0.045 (5)	0.000 (3)	−0.003 (4)	−0.016 (4)
C48	0.016 (4)	0.020 (4)	0.027 (4)	−0.001 (3)	−0.003 (3)	−0.013 (3)
C49	0.019 (4)	0.020 (4)	0.024 (4)	−0.002 (3)	−0.002 (3)	−0.009 (3)
C50	0.017 (4)	0.024 (4)	0.019 (4)	−0.002 (3)	−0.003 (3)	−0.008 (3)
C51	0.009 (4)	0.016 (4)	0.040 (5)	−0.001 (3)	−0.005 (4)	−0.008 (4)
C52	0.013 (4)	0.013 (4)	0.029 (5)	0.002 (3)	−0.009 (3)	−0.008 (3)
C53	0.012 (4)	0.012 (4)	0.029 (5)	0.002 (3)	−0.003 (3)	−0.008 (3)
C54	0.012 (4)	0.008 (3)	0.027 (4)	0.000 (3)	−0.003 (3)	−0.011 (3)
C55	0.044 (6)	0.022 (5)	0.048 (6)	0.005 (4)	−0.011 (5)	−0.020 (4)
C56	0.034 (5)	0.035 (5)	0.044 (6)	−0.013 (4)	−0.010 (4)	−0.020 (4)
Ru5	0.0184 (3)	0.0141 (3)	0.0205 (3)	−0.0032 (3)	−0.0019 (3)	−0.0069 (3)
Cl13	0.0212 (11)	0.0226 (10)	0.0318 (11)	0.0012 (8)	−0.0076 (9)	−0.0126 (8)
Cl14	0.0211 (10)	0.0254 (10)	0.0229 (10)	−0.0058 (8)	−0.0023 (8)	−0.0071 (8)
Cl15	0.0313 (12)	0.0207 (10)	0.0212 (10)	−0.0047 (8)	−0.0022 (9)	−0.0042 (8)
S5	0.0293 (12)	0.0177 (10)	0.0225 (11)	−0.0066 (9)	−0.0002 (9)	−0.0101 (8)
O5	0.038 (4)	0.025 (3)	0.028 (3)	−0.013 (3)	0.004 (3)	−0.010 (3)
N9	0.018 (4)	0.023 (4)	0.024 (4)	−0.006 (3)	−0.004 (3)	−0.011 (3)
N10	0.010 (3)	0.016 (3)	0.024 (4)	0.001 (3)	−0.002 (3)	−0.009 (3)
C57	0.014 (4)	0.028 (4)	0.025 (5)	−0.005 (3)	0.000 (3)	−0.014 (4)
C58	0.016 (4)	0.037 (5)	0.026 (5)	−0.010 (4)	0.004 (4)	−0.010 (4)
C59	0.022 (5)	0.026 (4)	0.026 (5)	−0.012 (4)	−0.002 (4)	−0.007 (4)
C60	0.015 (4)	0.018 (4)	0.042 (5)	−0.002 (3)	−0.003 (4)	−0.009 (4)
C61	0.013 (4)	0.018 (4)	0.040 (5)	−0.001 (3)	0.001 (3)	−0.016 (3)
C62	0.018 (4)	0.020 (4)	0.033 (5)	0.002 (3)	−0.007 (4)	−0.017 (4)
C63	0.021 (5)	0.034 (5)	0.026 (5)	−0.004 (4)	−0.005 (4)	−0.017 (4)
C64	0.019 (4)	0.023 (4)	0.031 (5)	−0.005 (3)	−0.001 (4)	−0.012 (4)
C65	0.017 (4)	0.023 (4)	0.026 (5)	−0.007 (3)	−0.006 (3)	−0.003 (3)
C66	0.008 (4)	0.020 (4)	0.029 (5)	0.004 (3)	−0.005 (3)	−0.017 (3)
C67	0.016 (4)	0.015 (4)	0.030 (5)	0.001 (3)	−0.007 (3)	−0.014 (3)
C68	0.013 (4)	0.017 (4)	0.027 (5)	−0.002 (3)	−0.003 (3)	−0.005 (3)
C69	0.048 (6)	0.014 (4)	0.043 (6)	0.002 (4)	0.001 (5)	−0.016 (4)
C70	0.048 (6)	0.037 (5)	0.042 (6)	−0.017 (5)	−0.003 (5)	−0.020 (5)
Ru6	0.0154 (3)	0.0147 (3)	0.0184 (3)	−0.0033 (3)	0.0011 (3)	−0.0089 (3)
Cl16	0.0194 (10)	0.0210 (10)	0.0324 (11)	−0.0034 (8)	−0.0032 (9)	−0.0111 (9)
Cl17	0.0173 (10)	0.0235 (10)	0.0212 (10)	−0.0013 (8)	−0.0014 (8)	−0.0089 (8)
Cl18	0.0262 (11)	0.0189 (9)	0.0201 (10)	−0.0054 (8)	0.0003 (8)	−0.0039 (8)
S6	0.0233 (11)	0.0207 (10)	0.0230 (11)	−0.0076 (8)	0.0026 (9)	−0.0119 (8)
O6	0.046 (4)	0.034 (3)	0.021 (3)	−0.022 (3)	0.020 (3)	−0.015 (3)
N11	0.015 (3)	0.020 (3)	0.014 (3)	−0.005 (3)	0.005 (3)	−0.013 (3)
N12	0.017 (4)	0.017 (3)	0.023 (4)	−0.004 (3)	−0.003 (3)	−0.010 (3)
C71	0.015 (4)	0.031 (4)	0.019 (4)	−0.001 (3)	−0.001 (3)	−0.011 (3)
C72	0.017 (4)	0.042 (5)	0.014 (4)	−0.005 (4)	−0.003 (3)	−0.006 (4)
C73	0.012 (4)	0.025 (4)	0.030 (5)	−0.008 (3)	0.002 (3)	−0.004 (4)
C74	0.018 (4)	0.014 (4)	0.037 (5)	−0.005 (3)	−0.007 (4)	−0.003 (4)
C75	0.023 (5)	0.016 (4)	0.040 (5)	0.001 (3)	−0.009 (4)	−0.017 (4)
C76	0.022 (4)	0.018 (4)	0.027 (4)	0.002 (3)	−0.005 (3)	−0.018 (3)
C77	0.028 (5)	0.025 (4)	0.023 (5)	−0.004 (4)	−0.003 (4)	−0.017 (4)
C78	0.025 (5)	0.020 (4)	0.025 (5)	−0.006 (4)	−0.002 (4)	−0.008 (4)
C79	0.012 (4)	0.027 (4)	0.023 (4)	−0.003 (3)	−0.002 (3)	−0.008 (4)
C80	0.014 (4)	0.022 (4)	0.031 (5)	−0.005 (3)	−0.001 (4)	−0.012 (4)
C81	0.007 (4)	0.020 (4)	0.039 (5)	0.002 (3)	−0.006 (4)	−0.010 (4)
C82	0.013 (4)	0.017 (4)	0.022 (4)	−0.003 (3)	0.003 (3)	−0.005 (3)
C83	0.035 (5)	0.025 (5)	0.041 (6)	0.002 (4)	−0.009 (4)	−0.018 (4)
C84	0.032 (5)	0.034 (5)	0.040 (5)	−0.018 (4)	−0.009 (4)	−0.012 (4)
Cl19	0.0280 (12)	0.0407 (12)	0.0288 (11)	−0.0046 (9)	−0.0052 (9)	−0.0110 (9)
Cl20	0.0525 (16)	0.0486 (15)	0.0653 (18)	−0.0105 (12)	−0.0212 (14)	−0.0265 (13)
Cl21	0.0389 (13)	0.0270 (11)	0.0486 (14)	−0.0034 (10)	0.0055 (11)	−0.0114 (10)
C85	0.038 (5)	0.032 (5)	0.029 (5)	−0.007 (4)	−0.002 (4)	−0.013 (4)
Cl22	0.0320 (12)	0.0297 (11)	0.0424 (13)	−0.0081 (9)	−0.0033 (10)	−0.0099 (10)
Cl23	0.0469 (15)	0.0601 (16)	0.0420 (14)	0.0121 (12)	−0.0141 (12)	−0.0214 (12)
Cl24	0.0576 (18)	0.0659 (19)	0.088 (2)	−0.0290 (15)	−0.0035 (16)	−0.0382 (17)
C86	0.035 (5)	0.032 (5)	0.030 (5)	−0.006 (4)	0.009 (4)	−0.006 (4)
Cl25	0.065 (2)	0.0473 (17)	0.074 (2)	0.0187 (15)	0.0091 (16)	0.0070 (15)
Cl26	0.0462 (15)	0.0407 (13)	0.0434 (14)	−0.0161 (11)	0.0103 (11)	−0.0233 (11)
Cl27	0.0550 (16)	0.0529 (15)	0.0445 (14)	−0.0334 (13)	−0.0005 (12)	−0.0151 (12)
C87	0.034 (5)	0.022 (4)	0.042 (6)	−0.003 (4)	0.011 (4)	−0.014 (4)
Cl28	0.125 (3)	0.135 (3)	0.058 (2)	−0.102 (3)	−0.001 (2)	−0.025 (2)
Cl29	0.0340 (13)	0.0422 (13)	0.0359 (13)	−0.0076 (10)	0.0004 (10)	−0.0118 (10)
Cl30	0.071 (2)	0.0665 (19)	0.0506 (17)	−0.0057 (16)	−0.0127 (15)	−0.0094 (14)
C88	0.045 (6)	0.038 (5)	0.028 (5)	−0.016 (5)	0.007 (4)	−0.012 (4)
Cl31	0.0331 (13)	0.0312 (12)	0.0487 (14)	0.0032 (10)	−0.0137 (11)	−0.0089 (10)
Cl32	0.078 (2)	0.0545 (18)	0.083 (2)	−0.0125 (16)	0.0146 (19)	0.0019 (16)
Cl33	0.158 (4)	0.0537 (19)	0.179 (4)	−0.029 (2)	−0.137 (4)	−0.006 (2)
C89	0.054 (7)	0.020 (5)	0.068 (8)	0.000 (4)	−0.025 (6)	−0.010 (5)
Cl34	0.078 (2)	0.081 (2)	0.0430 (17)	0.0178 (18)	0.0138 (16)	−0.0036 (15)
Cl35	0.0465 (15)	0.0356 (13)	0.0616 (17)	0.0091 (11)	−0.0257 (13)	−0.0245 (12)
Cl36	0.0517 (16)	0.0438 (14)	0.0476 (15)	−0.0134 (12)	−0.0215 (12)	−0.0120 (11)
C90	0.041 (6)	0.046 (6)	0.025 (5)	0.008 (4)	−0.011 (4)	−0.014 (4)

Geometric parameters (Å, º) top

Ru1—N1	2.109 (7)	C20—C25	1.406 (11)
Ru1—N2	2.106 (6)	C21—C22	1.416 (13)
Ru1—Cl1	2.335 (3)	C23—C24	1.409 (11)
Ru1—Cl2	2.345 (2)	C24—C26	1.434 (11)
Ru1—Cl3	2.338 (2)	C25—C26	1.407 (11)
Ru1—S1	2.302 (2)	C15—H15	0.9500
Ru2—N3	2.114 (7)	C16—H16	0.9500
Ru2—N4	2.100 (6)	C17—H17	0.9500
Ru2—Cl4	2.343 (2)	C18—H18	0.9500
Ru2—Cl5	2.342 (2)	C19—H19	0.9500
Ru2—Cl6	2.332 (2)	C20—H20	0.9500
Ru2—S2	2.295 (2)	C21—H21	0.9500
Ru3—N5	2.096 (5)	C22—H22	0.9500
Ru3—N6	2.105 (6)	C27—H27B	0.9800
Ru3—Cl7	2.339 (2)	C27—H27C	0.9800
Ru3—Cl8	2.340 (2)	C27—H27A	0.9800
Ru3—Cl9	2.355 (2)	C28—H28B	0.9800
Ru3—S3	2.302 (2)	C28—H28C	0.9800
Ru4—N7	2.068 (7)	C28—H28A	0.9800
Ru4—N8	2.100 (6)	C29—C30	1.394 (11)
Ru4—Cl10	2.343 (2)	C30—C31	1.380 (12)
Ru4—Cl11	2.338 (2)	C31—C37	1.415 (13)
Ru4—Cl12	2.351 (2)	C32—C33	1.346 (13)
Ru4—S4	2.303 (2)	C32—C37	1.437 (12)
Ru5—N9	2.080 (7)	C33—C39	1.451 (12)
Ru5—N10	2.107 (6)	C34—C39	1.398 (12)
Ru5—Cl13	2.334 (3)	C34—C35	1.363 (14)
Ru5—Cl14	2.346 (2)	C35—C36	1.405 (12)
Ru5—Cl15	2.341 (2)	C37—C38	1.404 (11)
Ru5—S5	2.300 (2)	C38—C40	1.430 (11)
Ru6—N11	2.085 (5)	C39—C40	1.405 (11)
Ru6—N12	2.106 (6)	C29—H29	0.9500
Ru6—Cl16	2.342 (2)	C30—H30	0.9500
Ru6—Cl17	2.342 (2)	C31—H31	0.9500
Ru6—Cl18	2.333 (2)	C32—H32	0.9500
Ru6—S6	2.299 (2)	C33—H33	0.9500
S1—O1	1.484 (6)	C34—H34	0.9500
S1—C14	1.774 (8)	C35—H35	0.9500
S1—C13	1.773 (11)	C36—H36	0.9500
S2—O2	1.484 (6)	C41—H41B	0.9800
S2—C27	1.773 (8)	C41—H41A	0.9800
S2—C28	1.777 (11)	C41—H41C	0.9800
Cl19—C85	1.732 (10)	C42—H42A	0.9800
Cl20—C85	1.743 (10)	C42—H42C	0.9800
Cl21—C85	1.768 (11)	C42—H42B	0.9800
S3—C42	1.779 (11)	C43—C44	1.370 (13)
S3—C41	1.783 (8)	C44—C45	1.353 (13)
S3—O3	1.482 (6)	C45—C51	1.393 (14)
Cl22—C86	1.751 (10)	C46—C51	1.449 (11)
Cl23—C86	1.758 (11)	C46—C47	1.359 (14)
Cl24—C86	1.726 (11)	C47—C53	1.419 (11)
S4—C56	1.788 (11)	C48—C49	1.368 (11)
S4—C55	1.776 (10)	C48—C53	1.402 (10)
S4—O4	1.478 (5)	C49—C50	1.406 (11)
Cl25—C87	1.749 (9)	C51—C52	1.385 (11)
Cl26—C87	1.757 (10)	C52—C54	1.433 (10)
Cl27—C87	1.759 (9)	C53—C54	1.406 (11)
S5—O5	1.469 (6)	C43—H43	0.9500
S5—C69	1.783 (9)	C44—H44	0.9500
S5—C70	1.781 (12)	C45—H45	0.9500
Cl28—C88	1.721 (12)	C46—H46	0.9500
Cl29—C88	1.752 (10)	C47—H47	0.9500
Cl30—C88	1.787 (10)	C48—H48	0.9500
S6—O6	1.473 (6)	C49—H49	0.9500
S6—C84	1.767 (11)	C50—H50	0.9500
S6—C83	1.786 (9)	C55—H55C	0.9800
Cl31—C89	1.765 (10)	C55—H55A	0.9800
Cl32—C89	1.780 (11)	C55—H55B	0.9800
Cl33—C89	1.710 (12)	C56—H56A	0.9800
Cl34—C90	1.761 (11)	C56—H56C	0.9800
Cl35—C90	1.760 (10)	C56—H56B	0.9800
Cl36—C90	1.754 (11)	C57—C58	1.396 (11)
N1—C10	1.360 (10)	C58—C59	1.352 (12)
N1—C1	1.311 (10)	C59—C65	1.404 (10)
N2—C8	1.332 (10)	C60—C65	1.446 (11)
N2—C12	1.365 (10)	C60—C61	1.361 (14)
N3—C15	1.309 (10)	C61—C67	1.411 (11)
N3—C24	1.364 (10)	C62—C67	1.406 (10)
N4—C22	1.323 (10)	C62—C63	1.359 (12)
N4—C26	1.355 (10)	C63—C64	1.401 (12)
N5—C29	1.315 (9)	C65—C66	1.387 (11)
N5—C38	1.357 (9)	C66—C68	1.424 (10)
N6—C40	1.372 (10)	C67—C68	1.413 (11)
N6—C36	1.319 (10)	C57—H57	0.9500
N7—C43	1.366 (10)	C58—H58	0.9500
N7—C52	1.367 (10)	C59—H59	0.9500
N8—C50	1.322 (10)	C60—H60	0.9500
N8—C54	1.361 (10)	C61—H61	0.9500
N9—C57	1.350 (10)	C62—H62	0.9500
N9—C66	1.373 (10)	C63—H63	0.9500
N10—C68	1.364 (10)	C64—H64	0.9500
N10—C64	1.325 (12)	C69—H69C	0.9800
C1—C2	1.399 (11)	C69—H69B	0.9800
C2—C3	1.380 (11)	C69—H69A	0.9800
C3—C9	1.417 (11)	C70—H70C	0.9800
C4—C9	1.432 (12)	C70—H70B	0.9800
C4—C5	1.354 (13)	C70—H70A	0.9800
C5—C11	1.441 (11)	C71—C72	1.382 (11)
C6—C7	1.374 (14)	C72—C73	1.346 (12)
C6—C11	1.391 (12)	C73—C79	1.397 (10)
C7—C8	1.387 (12)	C74—C79	1.450 (11)
C9—C10	1.393 (10)	C74—C75	1.364 (14)
C10—C12	1.434 (11)	C75—C81	1.426 (12)
C11—C12	1.413 (11)	C76—C77	1.370 (11)
N11—C80	1.371 (10)	C76—C81	1.405 (12)
N11—C71	1.369 (9)	C77—C78	1.392 (11)
N12—C78	1.338 (10)	C79—C80	1.407 (11)
N12—C82	1.371 (10)	C80—C82	1.403 (10)
C1—H1	0.9500	C81—C82	1.395 (11)
C2—H2	0.9500	C71—H71	0.9500
C3—H3	0.9500	C72—H72	0.9500
C4—H4	0.9500	C73—H73	0.9500
C5—H5	0.9500	C74—H74	0.9500
C6—H6	0.9500	C75—H75	0.9500
C7—H7	0.9500	C76—H76	0.9500
C8—H8	0.9500	C77—H77	0.9500
C13—H13C	0.9800	C78—H78	0.9500
C13—H13B	0.9800	C83—H83C	0.9800
C13—H13A	0.9800	C83—H83B	0.9800
C14—H14B	0.9800	C83—H83A	0.9800
C14—H14A	0.9800	C84—H84A	0.9800
C14—H14C	0.9800	C84—H84C	0.9800
C15—C16	1.408 (11)	C84—H84B	0.9800
C16—C17	1.375 (11)	C85—H85	1.0000
C17—C23	1.424 (12)	C86—H86	1.0000
C18—C23	1.406 (11)	C87—H87	1.0000
C18—C19	1.361 (13)	C88—H88	1.0000
C19—C25	1.444 (12)	C89—H89	1.0000
C20—C21	1.364 (14)	C90—H90	1.0000

Cl1—Ru1—Cl2	174.31 (8)	C22—C21—H21	120.00
Cl1—Ru1—Cl3	93.39 (8)	N4—C22—H22	119.00
Cl1—Ru1—S1	89.44 (8)	C21—C22—H22	119.00
Cl1—Ru1—N1	88.2 (2)	S2—C27—H27A	110.00
Cl1—Ru1—N2	90.5 (2)	H27B—C27—H27C	109.00
Cl2—Ru1—Cl3	92.06 (8)	S2—C27—H27C	109.00
Cl2—Ru1—S1	92.46 (8)	H27A—C27—H27B	110.00
Cl2—Ru1—N1	86.2 (2)	S2—C27—H27B	109.00
Cl2—Ru1—N2	87.5 (2)	H27A—C27—H27C	109.00
Cl3—Ru1—S1	87.27 (7)	H28A—C28—H28C	110.00
Cl3—Ru1—N1	172.82 (17)	H28B—C28—H28C	109.00
Cl3—Ru1—N2	93.7 (2)	H28A—C28—H28B	109.00
S1—Ru1—N1	99.77 (17)	S2—C28—H28B	109.00
S1—Ru1—N2	179.02 (19)	S2—C28—H28C	109.00
N1—Ru1—N2	79.3 (2)	S2—C28—H28A	109.00
Cl4—Ru2—N3	88.7 (2)	N5—C29—C30	122.5 (7)
Cl4—Ru2—N4	89.3 (2)	C29—C30—C31	119.3 (7)
Cl5—Ru2—Cl6	92.71 (8)	C30—C31—C37	119.9 (8)
Cl5—Ru2—S2	92.61 (8)	C33—C32—C37	121.2 (7)
Cl5—Ru2—N3	85.0 (2)	C32—C33—C39	120.6 (8)
Cl5—Ru2—N4	88.7 (2)	C35—C34—C39	119.1 (8)
Cl6—Ru2—S2	87.53 (7)	C34—C35—C36	120.2 (8)
Cl6—Ru2—N3	172.57 (17)	N6—C36—C35	121.9 (9)
Cl6—Ru2—N4	93.42 (19)	C32—C37—C38	120.1 (8)
S2—Ru2—N3	99.63 (17)	C31—C37—C32	124.0 (7)
S2—Ru2—N4	178.3 (2)	C31—C37—C38	115.9 (8)
N3—Ru2—N4	79.5 (2)	C37—C38—C40	118.0 (7)
Cl4—Ru2—Cl6	93.41 (8)	N5—C38—C40	118.3 (6)
Cl4—Ru2—S2	89.25 (8)	N5—C38—C37	123.6 (7)
Cl4—Ru2—Cl5	173.68 (8)	C33—C39—C40	118.0 (7)
Cl7—Ru3—N6	88.7 (2)	C33—C39—C34	123.9 (8)
Cl8—Ru3—Cl9	92.61 (8)	C34—C39—C40	118.1 (8)
Cl9—Ru3—S3	87.47 (7)	N6—C40—C38	116.4 (6)
Cl9—Ru3—N5	173.20 (16)	N6—C40—C39	121.8 (7)
Cl9—Ru3—N6	93.9 (2)	C38—C40—C39	121.9 (7)
S3—Ru3—N5	99.17 (16)	N5—C29—H29	119.00
S3—Ru3—N6	178.3 (2)	C30—C29—H29	119.00
N5—Ru3—N6	79.4 (2)	C29—C30—H30	120.00
Cl8—Ru3—N5	85.9 (2)	C31—C30—H30	120.00
Cl8—Ru3—N6	88.4 (2)	C30—C31—H31	120.00
Cl7—Ru3—Cl8	174.62 (8)	C37—C31—H31	120.00
Cl7—Ru3—Cl9	92.08 (8)	C37—C32—H32	119.00
Cl7—Ru3—S3	92.33 (8)	C33—C32—H32	119.00
Cl7—Ru3—N5	89.1 (2)	C32—C33—H33	120.00
Cl8—Ru3—S3	90.51 (8)	C39—C33—H33	120.00
Cl10—Ru4—N7	89.5 (2)	C39—C34—H34	120.00
Cl10—Ru4—N8	88.3 (2)	C35—C34—H34	120.00
S4—Ru4—N7	99.22 (19)	C36—C35—H35	120.00
S4—Ru4—N8	178.1 (2)	C34—C35—H35	120.00
N7—Ru4—N8	79.0 (3)	C35—C36—H36	119.00
Cl11—Ru4—N7	85.9 (2)	N6—C36—H36	119.00
Cl11—Ru4—N8	88.4 (2)	S3—C41—H41C	110.00
Cl10—Ru4—Cl11	174.83 (8)	S3—C41—H41B	110.00
Cl10—Ru4—Cl12	92.03 (8)	H41B—C41—H41C	110.00
Cl10—Ru4—S4	92.34 (8)	H41A—C41—H41C	109.00
Cl11—Ru4—Cl12	92.21 (8)	S3—C41—H41A	109.00
Cl11—Ru4—S4	90.76 (8)	H41A—C41—H41B	109.00
Cl12—Ru4—S4	88.09 (8)	S3—C42—H42C	109.00
Cl12—Ru4—N7	172.48 (19)	H42B—C42—H42C	110.00
Cl12—Ru4—N8	93.6 (2)	S3—C42—H42A	109.00
Cl14—Ru5—Cl15	91.99 (8)	H42A—C42—H42C	109.00
Cl14—Ru5—S5	92.68 (8)	S3—C42—H42B	109.00
N9—Ru5—N10	78.3 (3)	H42A—C42—H42B	109.00
Cl13—Ru5—Cl15	93.57 (8)	N7—C43—C44	121.8 (8)
Cl13—Ru5—S5	89.50 (8)	C43—C44—C45	121.7 (9)
Cl13—Ru5—N9	88.1 (2)	C44—C45—C51	118.5 (9)
Cl13—Ru5—N10	90.4 (2)	C47—C46—C51	120.7 (8)
Cl14—Ru5—N9	86.2 (2)	C46—C47—C53	121.5 (7)
Cl14—Ru5—N10	87.4 (2)	C49—C48—C53	120.4 (7)
Cl15—Ru5—S5	86.93 (8)	C48—C49—C50	118.7 (7)
S5—Ru5—N9	100.50 (19)	N8—C50—C49	122.7 (7)
Cl15—Ru5—N9	172.42 (18)	C45—C51—C52	118.2 (7)
Cl15—Ru5—N10	94.2 (2)	C45—C51—C46	123.5 (8)
S5—Ru5—N10	178.8 (2)	C46—C51—C52	118.3 (8)
Cl13—Ru5—Cl14	174.13 (8)	C51—C52—C54	120.9 (7)
S6—Ru6—N12	178.0 (2)	N7—C52—C54	115.6 (7)
Cl16—Ru6—N12	89.8 (2)	N7—C52—C51	123.5 (7)
Cl17—Ru6—Cl18	93.05 (8)	C47—C53—C48	124.3 (7)
Cl16—Ru6—N11	89.2 (2)	C47—C53—C54	118.8 (7)
Cl17—Ru6—N11	84.3 (2)	C48—C53—C54	116.9 (7)
Cl17—Ru6—N12	88.8 (2)	N8—C54—C52	117.5 (7)
Cl18—Ru6—S6	87.41 (7)	C52—C54—C53	119.7 (7)
S6—Ru6—N11	100.22 (16)	N8—C54—C53	122.8 (7)
Cl18—Ru6—N11	172.00 (16)	N7—C43—H43	119.00
Cl18—Ru6—N12	93.7 (2)	C44—C43—H43	119.00
Cl16—Ru6—S6	88.42 (8)	C45—C44—H44	119.00
N11—Ru6—N12	78.7 (2)	C43—C44—H44	119.00
Cl16—Ru6—Cl18	93.40 (8)	C51—C45—H45	121.00
Cl16—Ru6—Cl17	173.48 (8)	C44—C45—H45	121.00
Cl17—Ru6—S6	92.81 (8)	C51—C46—H46	120.00
O1—S1—C14	105.6 (4)	C47—C46—H46	120.00
Ru1—S1—C13	112.4 (3)	C46—C47—H47	119.00
Ru1—S1—C14	112.7 (3)	C53—C47—H47	119.00
Ru1—S1—O1	115.9 (2)	C49—C48—H48	120.00
O1—S1—C13	108.5 (4)	C53—C48—H48	120.00
C13—S1—C14	100.6 (5)	C48—C49—H49	121.00
Ru2—S2—C28	112.6 (3)	C50—C49—H49	121.00
O2—S2—C27	106.9 (4)	C49—C50—H50	119.00
O2—S2—C28	108.4 (4)	N8—C50—H50	119.00
C27—S2—C28	100.0 (5)	S4—C55—H55C	109.00
Ru2—S2—C27	112.0 (3)	S4—C55—H55A	109.00
Ru2—S2—O2	115.7 (2)	S4—C55—H55B	109.00
Ru3—S3—C42	112.1 (3)	H55A—C55—H55C	110.00
O3—S3—C42	107.4 (4)	H55B—C55—H55C	109.00
C41—S3—C42	99.8 (5)	H55A—C55—H55B	109.00
O3—S3—C41	106.7 (4)	H56A—C56—H56B	110.00
Ru3—S3—C41	111.6 (3)	S4—C56—H56A	109.00
Ru3—S3—O3	117.6 (2)	S4—C56—H56B	109.00
C55—S4—C56	99.8 (5)	H56A—C56—H56C	110.00
Ru4—S4—C56	111.7 (3)	H56B—C56—H56C	109.00
Ru4—S4—O4	118.0 (3)	S4—C56—H56C	109.00
O4—S4—C55	108.2 (4)	N9—C57—C58	121.4 (7)
Ru4—S4—C55	110.6 (3)	C57—C58—C59	121.6 (7)
O4—S4—C56	107.0 (4)	C58—C59—C65	118.9 (7)
O5—S5—C70	108.1 (4)	C61—C60—C65	120.7 (7)
C69—S5—C70	99.5 (5)	C60—C61—C67	121.4 (7)
Ru5—S5—O5	116.3 (3)	C63—C62—C67	120.2 (7)
Ru5—S5—C70	112.6 (3)	C62—C63—C64	119.9 (9)
Ru5—S5—C69	112.4 (3)	N10—C64—C63	121.5 (8)
O5—S5—C69	106.5 (4)	C60—C65—C66	118.7 (7)
Ru6—S6—C84	113.2 (3)	C59—C65—C66	117.1 (7)
O6—S6—C83	107.5 (4)	C59—C65—C60	124.3 (7)
Ru6—S6—O6	114.9 (3)	C65—C66—C68	120.3 (7)
C83—S6—C84	99.0 (5)	N9—C66—C65	124.6 (7)
Ru6—S6—C83	112.5 (3)	N9—C66—C68	115.1 (7)
O6—S6—C84	108.5 (4)	C61—C67—C68	118.6 (7)
Ru1—N1—C1	128.2 (5)	C62—C67—C68	116.8 (7)
C1—N1—C10	119.1 (7)	C61—C67—C62	124.5 (7)
Ru1—N1—C10	112.5 (5)	C66—C68—C67	120.2 (7)
C8—N2—C12	118.1 (7)	N10—C68—C66	117.8 (7)
Ru1—N2—C12	112.9 (5)	N10—C68—C67	122.0 (7)
Ru1—N2—C8	128.9 (6)	N9—C57—H57	119.00
Ru2—N3—C24	111.8 (5)	C58—C57—H57	119.00
Ru2—N3—C15	127.6 (6)	C57—C58—H58	119.00
C15—N3—C24	120.4 (7)	C59—C58—H58	119.00
C22—N4—C26	118.4 (7)	C58—C59—H59	121.00
Ru2—N4—C22	128.2 (6)	C65—C59—H59	120.00
Ru2—N4—C26	113.5 (5)	C65—C60—H60	120.00
C29—N5—C38	118.7 (6)	C61—C60—H60	120.00
Ru3—N5—C29	128.6 (5)	C67—C61—H61	119.00
Ru3—N5—C38	112.5 (5)	C60—C61—H61	119.00
Ru3—N6—C40	112.8 (5)	C63—C62—H62	120.00
C36—N6—C40	118.9 (7)	C67—C62—H62	120.00
Ru3—N6—C36	128.4 (6)	C62—C63—H63	120.00
Ru4—N7—C43	128.9 (5)	C64—C63—H63	120.00
C43—N7—C52	116.3 (7)	C63—C64—H64	119.00
Ru4—N7—C52	114.6 (5)	N10—C64—H64	119.00
C50—N8—C54	118.5 (6)	S5—C69—H69A	109.00
Ru4—N8—C54	112.8 (5)	S5—C69—H69B	110.00
Ru4—N8—C50	128.7 (5)	S5—C69—H69C	109.00
Ru5—N9—C66	115.1 (5)	H69B—C69—H69C	110.00
Ru5—N9—C57	128.5 (5)	H69A—C69—H69B	109.00
C57—N9—C66	116.4 (7)	H69A—C69—H69C	109.00
Ru5—N10—C68	113.0 (5)	S5—C70—H70C	109.00
C64—N10—C68	119.6 (6)	H70A—C70—H70B	109.00
Ru5—N10—C64	127.3 (5)	H70A—C70—H70C	109.00
N1—C1—C2	122.4 (7)	H70B—C70—H70C	110.00
C1—C2—C3	119.5 (7)	S5—C70—H70A	110.00
C2—C3—C9	118.7 (7)	S5—C70—H70B	109.00
C5—C4—C9	121.8 (8)	N11—C71—C72	121.3 (7)
C4—C5—C11	120.8 (8)	C71—C72—C73	121.7 (7)
C7—C6—C11	119.0 (8)	C72—C73—C79	118.9 (7)
C6—C7—C8	120.0 (8)	C75—C74—C79	120.5 (8)
N2—C8—C7	122.6 (9)	C74—C75—C81	121.1 (7)
C4—C9—C10	119.1 (7)	C77—C76—C81	120.3 (7)
C3—C9—C10	117.5 (7)	C76—C77—C78	119.7 (7)
C3—C9—C4	123.4 (7)	N12—C78—C77	121.5 (7)
N1—C10—C9	122.7 (7)	C73—C79—C74	123.1 (7)
N1—C10—C12	117.8 (7)	C73—C79—C80	118.8 (7)
C9—C10—C12	119.5 (7)	C74—C79—C80	118.1 (7)
C5—C11—C12	117.8 (7)	N11—C80—C79	121.7 (6)
C71—N11—C80	117.7 (6)	N11—C80—C82	117.8 (7)
C6—C11—C12	118.1 (7)	C79—C80—C82	120.5 (7)
C5—C11—C6	124.1 (8)	C75—C81—C76	124.1 (7)
Ru6—N11—C80	113.5 (4)	C75—C81—C82	118.7 (8)
Ru6—N11—C71	128.8 (5)	C76—C81—C82	117.2 (7)
C78—N12—C82	119.2 (6)	N12—C82—C80	116.7 (7)
Ru6—N12—C82	113.3 (5)	N12—C82—C81	122.2 (7)
Ru6—N12—C78	127.5 (5)	C80—C82—C81	121.1 (7)
N2—C12—C10	117.0 (6)	N11—C71—H71	119.00
N2—C12—C11	122.1 (7)	C72—C71—H71	119.00
C10—C12—C11	120.9 (7)	C71—C72—H72	119.00
C2—C1—H1	119.00	C73—C72—H72	119.00
N1—C1—H1	119.00	C72—C73—H73	121.00
C3—C2—H2	120.00	C79—C73—H73	120.00
C1—C2—H2	120.00	C75—C74—H74	120.00
C9—C3—H3	121.00	C79—C74—H74	120.00
C2—C3—H3	121.00	C74—C75—H75	119.00
C9—C4—H4	119.00	C81—C75—H75	119.00
C5—C4—H4	119.00	C77—C76—H76	120.00
C4—C5—H5	120.00	C81—C76—H76	120.00
C11—C5—H5	120.00	C76—C77—H77	120.00
C11—C6—H6	120.00	C78—C77—H77	120.00
C7—C6—H6	121.00	N12—C78—H78	119.00
C8—C7—H7	120.00	C77—C78—H78	119.00
C6—C7—H7	120.00	S6—C83—H83A	109.00
C7—C8—H8	119.00	S6—C83—H83B	109.00
N2—C8—H8	119.00	S6—C83—H83C	109.00
H13A—C13—H13C	110.00	H83A—C83—H83B	110.00
S1—C13—H13A	109.00	H83A—C83—H83C	110.00
S1—C13—H13B	109.00	H83B—C83—H83C	110.00
S1—C13—H13C	109.00	S6—C84—H84A	109.00
H13A—C13—H13B	109.00	S6—C84—H84B	109.00
H13B—C13—H13C	109.00	S6—C84—H84C	110.00
H14B—C14—H14C	109.00	H84A—C84—H84B	109.00
S1—C14—H14B	110.00	H84A—C84—H84C	109.00
S1—C14—H14C	109.00	H84B—C84—H84C	110.00
S1—C14—H14A	109.00	Cl19—C85—Cl20	111.2 (6)
H14A—C14—H14C	109.00	Cl19—C85—Cl21	110.3 (6)
H14A—C14—H14B	110.00	Cl20—C85—Cl21	110.4 (5)
N3—C15—C16	122.3 (7)	Cl19—C85—H85	108.00
C15—C16—C17	118.8 (7)	Cl20—C85—H85	108.00
C16—C17—C23	119.9 (7)	Cl21—C85—H85	108.00
C19—C18—C23	122.3 (8)	Cl22—C86—Cl23	110.1 (6)
C18—C19—C25	120.1 (8)	Cl22—C86—Cl24	110.1 (6)
C21—C20—C25	118.9 (8)	Cl23—C86—Cl24	110.8 (5)
C20—C21—C22	120.4 (8)	Cl22—C86—H86	109.00
N4—C22—C21	121.6 (9)	Cl23—C86—H86	109.00
C18—C23—C24	119.0 (7)	Cl24—C86—H86	109.00
C17—C23—C24	117.0 (7)	Cl25—C87—Cl26	110.6 (5)
C17—C23—C18	124.0 (7)	Cl25—C87—Cl27	111.4 (6)
N3—C24—C26	118.4 (7)	Cl26—C87—Cl27	109.1 (5)
N3—C24—C23	121.6 (7)	Cl25—C87—H87	109.00
C23—C24—C26	120.0 (7)	Cl26—C87—H87	109.00
C19—C25—C26	119.0 (7)	Cl27—C87—H87	109.00
C20—C25—C26	117.2 (7)	Cl28—C88—Cl29	111.8 (6)
C19—C25—C20	123.8 (8)	Cl28—C88—Cl30	111.3 (6)
N4—C26—C25	123.5 (7)	Cl29—C88—Cl30	108.9 (5)
C24—C26—C25	119.6 (7)	Cl28—C88—H88	108.00
N4—C26—C24	116.8 (7)	Cl29—C88—H88	108.00
N3—C15—H15	119.00	Cl30—C88—H88	108.00
C16—C15—H15	119.00	Cl31—C89—Cl32	108.4 (5)
C15—C16—H16	121.00	Cl31—C89—Cl33	111.5 (6)
C17—C16—H16	120.00	Cl32—C89—Cl33	111.1 (7)
C23—C17—H17	120.00	Cl31—C89—H89	109.00
C16—C17—H17	120.00	Cl32—C89—H89	109.00
C19—C18—H18	119.00	Cl33—C89—H89	109.00
C23—C18—H18	119.00	Cl34—C90—Cl35	111.2 (5)
C18—C19—H19	120.00	Cl34—C90—Cl36	110.5 (6)
C25—C19—H19	120.00	Cl35—C90—Cl36	109.6 (5)
C25—C20—H20	121.00	Cl34—C90—H90	109.00
C21—C20—H20	121.00	Cl35—C90—H90	108.00
C20—C21—H21	120.00	Cl36—C90—H90	109.00

Cl1—Ru1—S1—O1	−75.8 (3)	Ru3—N5—C29—C30	173.2 (6)
Cl1—Ru1—S1—C13	158.8 (4)	C38—N5—C29—C30	−1.5 (13)
Cl1—Ru1—S1—C14	46.0 (4)	C29—N5—C38—C40	−177.6 (8)
Cl2—Ru1—S1—O1	98.9 (3)	Ru3—N6—C40—C38	−4.3 (10)
Cl2—Ru1—S1—C13	−26.6 (4)	Ru3—N6—C40—C39	175.1 (7)
Cl2—Ru1—S1—C14	−139.4 (4)	C36—N6—C40—C39	−3.1 (13)
Cl3—Ru1—S1—O1	−169.2 (3)	C40—N6—C36—C35	2.6 (13)
Cl3—Ru1—S1—C13	65.4 (4)	C36—N6—C40—C38	177.5 (8)
Cl3—Ru1—S1—C14	−47.4 (4)	Ru3—N6—C36—C35	−175.3 (7)
N1—Ru1—S1—O1	12.3 (4)	Ru4—N7—C52—C51	−174.0 (7)
N1—Ru1—S1—C13	−113.2 (4)	Ru4—N7—C43—C44	173.2 (7)
N1—Ru1—S1—C14	134.0 (4)	C43—N7—C52—C54	−179.3 (8)
Cl1—Ru1—N1—C1	88.4 (8)	C52—N7—C43—C44	−0.5 (13)
Cl1—Ru1—N1—C10	−96.9 (6)	Ru4—N7—C52—C54	6.2 (10)
Cl2—Ru1—N1—C1	−92.6 (8)	C43—N7—C52—C51	0.6 (13)
Cl2—Ru1—N1—C10	82.2 (6)	Ru4—N8—C54—C52	−3.3 (10)
S1—Ru1—N1—C1	−0.7 (8)	Ru4—N8—C50—C49	−177.4 (6)
S1—Ru1—N1—C10	174.0 (6)	C50—N8—C54—C53	−2.4 (13)
N2—Ru1—N1—C1	179.3 (8)	C54—N8—C50—C49	0.9 (13)
N2—Ru1—N1—C10	−6.0 (6)	Ru4—N8—C54—C53	176.1 (7)
Cl1—Ru1—N2—C8	−89.1 (8)	C50—N8—C54—C52	178.1 (8)
Cl1—Ru1—N2—C12	93.5 (6)	C57—N9—C66—C68	−177.1 (8)
Cl2—Ru1—N2—C8	96.2 (8)	Ru5—N9—C66—C68	6.1 (10)
Cl2—Ru1—N2—C12	−81.2 (6)	Ru5—N9—C66—C65	−174.6 (7)
Cl3—Ru1—N2—C8	4.3 (8)	C57—N9—C66—C65	2.3 (13)
Cl3—Ru1—N2—C12	−173.1 (6)	C66—N9—C57—C58	−0.3 (12)
N1—Ru1—N2—C8	−177.2 (9)	Ru5—N9—C57—C58	176.1 (6)
N1—Ru1—N2—C12	5.5 (6)	C68—N10—C64—C63	−0.4 (13)
Cl4—Ru2—N3—C15	94.0 (7)	Ru5—N10—C64—C63	−175.5 (7)
Cl4—Ru2—N3—C24	−91.4 (6)	Ru5—N10—C68—C67	175.2 (7)
Cl5—Ru2—N3—C15	−86.8 (7)	C64—N10—C68—C67	−0.6 (13)
Cl5—Ru2—N3—C24	87.7 (6)	C64—N10—C68—C66	178.8 (8)
S2—Ru2—N3—C15	5.0 (8)	Ru5—N10—C68—C66	−5.5 (10)
S2—Ru2—N3—C24	179.6 (6)	N1—C1—C2—C3	−1.6 (14)
N4—Ru2—N3—C15	−176.4 (8)	C1—C2—C3—C9	0.6 (13)
N4—Ru2—N3—C24	−1.9 (6)	C2—C3—C9—C10	1.2 (13)
Cl4—Ru2—N4—C22	−90.2 (8)	C2—C3—C9—C4	−179.7 (9)
Cl4—Ru2—N4—C26	89.5 (6)	C5—C4—C9—C3	−176.5 (9)
Cl5—Ru2—N4—C22	95.8 (8)	C9—C4—C5—C11	−1.7 (15)
Cl5—Ru2—N4—C26	−84.5 (6)	C5—C4—C9—C10	2.6 (14)
Cl6—Ru2—N4—C22	3.2 (8)	C4—C5—C11—C12	−0.7 (14)
Cl6—Ru2—N4—C26	−177.1 (6)	C4—C5—C11—C6	179.7 (9)
N3—Ru2—N4—C22	−179.0 (8)	C7—C6—C11—C5	179.6 (9)
N3—Ru2—N4—C26	0.7 (6)	C11—C6—C7—C8	−1.8 (14)
Cl5—Ru2—S2—C27	−138.0 (4)	C7—C6—C11—C12	0.0 (13)
Cl5—Ru2—S2—C28	−26.2 (4)	C6—C7—C8—N2	1.9 (15)
Cl6—Ru2—S2—O2	−168.2 (3)	C4—C9—C10—C12	−0.9 (13)
Cl4—Ru2—S2—O2	−74.8 (3)	C3—C9—C10—C12	178.2 (8)
Cl4—Ru2—S2—C27	48.0 (4)	C3—C9—C10—N1	−2.3 (13)
Cl4—Ru2—S2—C28	159.8 (4)	C4—C9—C10—N1	178.6 (8)
Cl5—Ru2—S2—O2	99.2 (3)	C9—C10—C12—C11	−1.6 (13)
N3—Ru2—S2—C28	−111.6 (4)	N1—C10—C12—C11	179.0 (8)
Cl6—Ru2—S2—C28	66.4 (4)	N1—C10—C12—N2	−1.0 (12)
N3—Ru2—S2—O2	13.8 (4)	C9—C10—C12—N2	178.5 (8)
Cl6—Ru2—S2—C27	−45.4 (4)	C71—N11—C80—C79	0.8 (12)
N3—Ru2—S2—C27	136.6 (4)	C71—N11—C80—C82	178.2 (8)
Cl8—Ru3—N5—C38	82.3 (6)	C80—N11—C71—C72	−0.7 (12)
S3—Ru3—N5—C29	−2.9 (8)	Ru6—N11—C80—C79	−176.9 (7)
Cl8—Ru3—N5—C29	−92.8 (7)	Ru6—N11—C71—C72	176.6 (6)
N5—Ru3—N6—C40	6.0 (6)	Ru6—N11—C80—C82	0.6 (10)
Cl9—Ru3—S3—O3	−176.9 (3)	C6—C11—C12—C10	−178.0 (8)
Cl7—Ru3—S3—O3	−84.9 (3)	C5—C11—C12—N2	−177.7 (8)
Cl7—Ru3—S3—C41	38.9 (3)	C5—C11—C12—C10	2.4 (13)
Cl7—Ru3—S3—C42	149.9 (4)	C6—C11—C12—N2	1.9 (13)
Cl8—Ru3—S3—O3	90.5 (3)	C78—N12—C82—C80	179.0 (8)
Cl8—Ru3—S3—C41	−145.7 (3)	Ru6—N12—C78—C77	−177.7 (6)
Cl8—Ru3—S3—C42	−34.7 (4)	C78—N12—C82—C81	−0.8 (13)
Cl7—Ru3—N5—C38	−95.7 (6)	Ru6—N12—C82—C81	177.3 (7)
Cl9—Ru3—S3—C41	−53.1 (3)	C82—N12—C78—C77	0.1 (13)
Cl9—Ru3—S3—C42	57.9 (4)	Ru6—N12—C82—C80	−2.9 (10)
N5—Ru3—S3—O3	4.6 (4)	N3—C15—C16—C17	0.1 (13)
N5—Ru3—S3—C41	128.4 (4)	C15—C16—C17—C23	−0.9 (13)
N5—Ru3—S3—C42	−120.7 (4)	C16—C17—C23—C24	0.4 (13)
Cl7—Ru3—N5—C29	89.3 (7)	C16—C17—C23—C18	−177.5 (9)
N6—Ru3—N5—C29	178.1 (8)	C23—C18—C19—C25	−0.3 (15)
N6—Ru3—N5—C38	−6.9 (6)	C19—C18—C23—C17	178.7 (9)
Cl7—Ru3—N6—C36	−86.6 (8)	C19—C18—C23—C24	0.8 (15)
Cl7—Ru3—N6—C40	95.4 (6)	C18—C19—C25—C26	−0.5 (14)
Cl8—Ru3—N6—C36	97.9 (8)	C18—C19—C25—C20	−178.6 (9)
Cl8—Ru3—N6—C40	−80.1 (6)	C25—C20—C21—C22	−0.3 (14)
S3—Ru3—N5—C38	172.1 (6)	C21—C20—C25—C19	177.8 (9)
Cl9—Ru3—N6—C40	−172.6 (6)	C21—C20—C25—C26	−0.4 (13)
N5—Ru3—N6—C36	−176.0 (8)	C20—C21—C22—N4	−0.4 (14)
Cl9—Ru3—N6—C36	5.4 (8)	C17—C23—C24—N3	0.9 (13)
Cl10—Ru4—S4—C55	38.7 (4)	C17—C23—C24—C26	−178.7 (8)
Cl11—Ru4—S4—O4	89.3 (3)	C18—C23—C24—N3	179.0 (8)
Cl11—Ru4—S4—C55	−145.4 (4)	C18—C23—C24—C26	−0.6 (13)
Cl10—Ru4—S4—C56	148.9 (3)	C23—C24—C26—N4	177.2 (8)
S4—Ru4—N7—C52	173.3 (6)	C23—C24—C26—C25	−0.1 (13)
Cl10—Ru4—S4—O4	−86.6 (3)	N3—C24—C26—C25	−179.7 (8)
S4—Ru4—N7—C43	−0.5 (8)	N3—C24—C26—N4	−2.4 (12)
Cl11—Ru4—N7—C52	83.2 (6)	C20—C25—C26—N4	1.8 (13)
Cl11—Ru4—N8—C54	−81.2 (6)	C19—C25—C26—N4	−176.4 (8)
Cl12—Ru4—N8—C50	5.1 (8)	C20—C25—C26—C24	178.9 (8)
N8—Ru4—N7—C43	−179.8 (8)	C19—C25—C26—C24	0.7 (13)
N8—Ru4—N7—C52	−6.1 (6)	N5—C29—C30—C31	−0.2 (14)
Cl10—Ru4—N8—C50	−86.9 (7)	C29—C30—C31—C37	1.2 (14)
Cl10—Ru4—N8—C54	94.8 (6)	C30—C31—C37—C32	−179.4 (9)
Cl11—Ru4—N8—C50	97.2 (7)	C30—C31—C37—C38	−0.5 (14)
Cl12—Ru4—S4—C55	−53.3 (4)	C33—C32—C37—C38	3.4 (15)
Cl12—Ru4—S4—C56	56.9 (4)	C37—C32—C33—C39	−0.9 (15)
Cl12—Ru4—N8—C54	−173.3 (6)	C33—C32—C37—C31	−177.7 (10)
N7—Ru4—N8—C50	−176.7 (8)	C32—C33—C39—C40	−2.6 (14)
N7—Ru4—N8—C54	5.0 (6)	C32—C33—C39—C34	179.6 (9)
Cl10—Ru4—N7—C52	−94.5 (6)	C35—C34—C39—C40	−0.6 (14)
Cl11—Ru4—N7—C43	−90.6 (7)	C39—C34—C35—C36	0.1 (15)
N7—Ru4—S4—C55	128.6 (4)	C35—C34—C39—C33	177.2 (9)
N7—Ru4—S4—C56	−121.3 (4)	C34—C35—C36—N6	−1.2 (15)
N7—Ru4—S4—O4	3.3 (4)	C32—C37—C38—N5	177.7 (9)
Cl12—Ru4—S4—O4	−178.5 (3)	C31—C37—C38—C40	178.6 (8)
Cl11—Ru4—S4—C56	−35.3 (4)	C31—C37—C38—N5	−1.3 (13)
Cl10—Ru4—N7—C43	91.8 (7)	C32—C37—C38—C40	−2.4 (13)
Cl14—Ru5—S5—O5	97.8 (3)	C37—C38—C40—C39	−1.1 (13)
Cl13—Ru5—S5—C69	46.4 (4)	C37—C38—C40—N6	178.3 (8)
Cl13—Ru5—S5—O5	−76.8 (3)	N5—C38—C40—N6	−1.7 (12)
Cl13—Ru5—S5—C70	157.8 (4)	N5—C38—C40—C39	178.9 (8)
N10—Ru5—N9—C57	176.7 (8)	C34—C39—C40—C38	−178.5 (8)
N10—Ru5—N9—C66	−6.8 (6)	C33—C39—C40—N6	−175.8 (8)
S5—Ru5—N9—C66	173.3 (6)	C33—C39—C40—C38	3.6 (13)
Cl14—Ru5—N9—C57	−95.2 (7)	C34—C39—C40—N6	2.1 (13)
Cl14—Ru5—N9—C66	81.3 (6)	N7—C43—C44—C45	0.0 (15)
S5—Ru5—N9—C57	−3.2 (8)	C43—C44—C45—C51	0.3 (15)
Cl15—Ru5—S5—C70	64.2 (4)	C44—C45—C51—C46	−179.8 (9)
N9—Ru5—S5—O5	11.2 (4)	C44—C45—C51—C52	−0.2 (14)
N9—Ru5—S5—C69	134.3 (5)	C51—C46—C47—C53	−0.8 (14)
Cl14—Ru5—S5—C69	−139.0 (4)	C47—C46—C51—C45	−178.6 (9)
Cl14—Ru5—S5—C70	−27.7 (4)	C47—C46—C51—C52	1.8 (13)
Cl15—Ru5—S5—O5	−170.4 (3)	C46—C47—C53—C54	−1.3 (13)
Cl15—Ru5—S5—C69	−47.2 (4)	C46—C47—C53—C48	179.7 (9)
Cl13—Ru5—N10—C68	94.5 (6)	C53—C48—C49—C50	−1.5 (13)
Cl14—Ru5—N10—C64	95.2 (7)	C49—C48—C53—C47	179.2 (9)
Cl14—Ru5—N10—C68	−80.1 (6)	C49—C48—C53—C54	0.1 (13)
N9—Ru5—S5—C70	−114.3 (4)	C48—C49—C50—N8	1.0 (14)
Cl13—Ru5—N9—C57	86.0 (7)	C45—C51—C52—C54	179.6 (9)
Cl13—Ru5—N9—C66	−97.6 (6)	C46—C51—C52—N7	179.3 (8)
Cl13—Ru5—N10—C64	−90.2 (7)	C46—C51—C52—C54	−0.8 (13)
Cl15—Ru5—N10—C64	3.4 (7)	C45—C51—C52—N7	−0.3 (14)
Cl15—Ru5—N10—C68	−171.9 (6)	N7—C52—C54—C53	178.7 (8)
N9—Ru5—N10—C64	−178.1 (8)	C51—C52—C54—N8	178.3 (8)
N9—Ru5—N10—C68	6.5 (6)	C51—C52—C54—C53	−1.2 (13)
N12—Ru6—N11—C80	−1.6 (6)	N7—C52—C54—N8	−1.8 (12)
Cl16—Ru6—N12—C78	−90.5 (7)	C48—C53—C54—C52	−178.7 (8)
Cl17—Ru6—S6—C84	−26.0 (4)	C48—C53—C54—N8	1.9 (13)
Cl17—Ru6—S6—O6	99.4 (3)	C47—C53—C54—N8	−177.2 (8)
Cl17—Ru6—S6—C83	−137.3 (4)	C47—C53—C54—C52	2.2 (13)
N12—Ru6—N11—C71	−178.9 (8)	N9—C57—C58—C59	−1.3 (14)
Cl18—Ru6—S6—O6	−167.7 (3)	C57—C58—C59—C65	1.1 (14)
Cl18—Ru6—S6—C83	−44.4 (4)	C58—C59—C65—C60	179.4 (9)
Cl18—Ru6—S6—C84	66.9 (4)	C58—C59—C65—C66	0.7 (13)
Cl16—Ru6—S6—C84	160.4 (4)	C61—C60—C65—C59	−176.7 (9)
S6—Ru6—N11—C71	2.8 (7)	C61—C60—C65—C66	2.0 (13)
S6—Ru6—N11—C80	−179.8 (6)	C65—C60—C61—C67	0.3 (14)
Cl18—Ru6—N12—C78	2.9 (7)	C60—C61—C67—C62	178.7 (9)
Cl18—Ru6—N12—C82	−175.0 (6)	C60—C61—C67—C68	−2.5 (13)
N11—Ru6—N12—C78	−179.7 (8)	C67—C62—C63—C64	−1.2 (14)
N11—Ru6—N12—C82	2.4 (6)	C63—C62—C67—C68	0.3 (13)
Cl16—Ru6—N12—C82	91.6 (6)	C63—C62—C67—C61	179.0 (9)
Cl17—Ru6—N12—C78	95.9 (7)	C62—C63—C64—N10	1.3 (14)
Cl17—Ru6—N12—C82	−82.0 (6)	C59—C65—C66—C68	176.8 (8)
Cl16—Ru6—S6—C83	49.1 (4)	C59—C65—C66—N9	−2.5 (13)
N11—Ru6—S6—O6	14.7 (4)	C60—C65—C66—N9	178.8 (8)
N11—Ru6—S6—C83	138.1 (4)	C60—C65—C66—C68	−2.0 (13)
N11—Ru6—S6—C84	−110.7 (4)	C65—C66—C68—C67	−0.2 (13)
Cl16—Ru6—N11—C80	−91.6 (6)	N9—C66—C68—C67	179.1 (8)
Cl17—Ru6—N11—C71	−89.0 (7)	C65—C66—C68—N10	−179.6 (8)
Cl16—Ru6—S6—O6	−74.3 (3)	N9—C66—C68—N10	−0.3 (12)
Cl17—Ru6—N11—C80	88.3 (6)	C62—C67—C68—C66	−178.7 (8)
Cl16—Ru6—N11—C71	91.1 (7)	C62—C67—C68—N10	0.7 (13)
C10—N1—C1—C2	0.5 (13)	C61—C67—C68—C66	2.5 (13)
Ru1—N1—C1—C2	175.0 (6)	C61—C67—C68—N10	−178.2 (8)
C1—N1—C10—C12	−179.1 (8)	N11—C71—C72—C73	0.7 (14)
Ru1—N1—C10—C9	−173.8 (7)	C71—C72—C73—C79	−0.8 (14)
C1—N1—C10—C9	1.5 (13)	C72—C73—C79—C74	−177.2 (9)
Ru1—N1—C10—C12	5.7 (10)	C72—C73—C79—C80	0.9 (13)
Ru1—N2—C12—C11	175.8 (7)	C79—C74—C75—C81	−1.0 (14)
C8—N2—C12—C10	178.1 (8)	C75—C74—C79—C73	179.3 (9)
Ru1—N2—C12—C10	−4.3 (10)	C75—C74—C79—C80	1.2 (13)
C8—N2—C12—C11	−1.9 (13)	C74—C75—C81—C82	−0.2 (13)
C12—N2—C8—C7	0.0 (14)	C74—C75—C81—C76	−179.5 (9)
Ru1—N2—C8—C7	−177.3 (7)	C77—C76—C81—C75	179.9 (9)
C24—N3—C15—C16	1.2 (13)	C77—C76—C81—C82	0.5 (13)
Ru2—N3—C15—C16	175.3 (6)	C81—C76—C77—C78	−1.2 (13)
Ru2—N3—C24—C26	2.9 (10)	C76—C77—C78—N12	0.9 (13)
C15—N3—C24—C23	−1.7 (13)	C74—C79—C80—C82	−0.1 (13)
C15—N3—C24—C26	177.9 (8)	C74—C79—C80—N11	177.3 (8)
Ru2—N3—C24—C23	−176.7 (7)	C73—C79—C80—N11	−0.9 (13)
Ru2—N4—C26—C25	177.8 (7)	C73—C79—C80—C82	−178.3 (8)
Ru2—N4—C26—C24	0.6 (10)	N11—C80—C82—N12	1.6 (12)
C26—N4—C22—C21	1.7 (13)	N11—C80—C82—C81	−178.6 (8)
C22—N4—C26—C24	−179.7 (8)	C79—C80—C82—N12	179.0 (8)
C22—N4—C26—C25	−2.5 (13)	C79—C80—C82—C81	−1.2 (13)
Ru2—N4—C22—C21	−178.6 (7)	C75—C81—C82—N12	−178.9 (8)
Ru3—N5—C38—C40	6.9 (10)	C75—C81—C82—C80	1.3 (13)
Ru3—N5—C38—C37	−173.2 (7)	C76—C81—C82—N12	0.5 (13)
C29—N5—C38—C37	2.4 (13)	C76—C81—C82—C80	−179.3 (8)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C85—H85···Cl7ⁱ	1.00	2.63	3.383 (10)	132
C86—H86···Cl10ⁱⁱ	1.00	2.60	3.397 (10)	136
C87—H87···Cl16	1.00	2.69	3.470 (10)	135
C88—H88···Cl13ⁱⁱⁱ	1.00	2.62	3.466 (10)	142
C89—H89···Cl1^iv	1.00	2.60	3.441 (10)	141
C90—H90···Cl4^iv	1.00	2.68	3.478 (10)	137

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

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