Dichloro­(4,4′-di-tert-butyl-2,2′-bipyridine-κ²N,N)bis­(triphenyl­phosphine-κP)ruthenium(II) dichloro­methane solvate

In the title ruthenium(II) mononuclear complex, [RuCl₂(C₁₈H₂₄N₂)₂(C₁₈H₁₅P)₂]·CH₂Cl₂, the Ru^II ion exhibits an octa­hedral coordination environment consisting of the two trans P atoms of triphenyl­phosphine, the two chelating N atoms of 4,4′-di-tert-butyl-2,2′-bipyridine and the two cis Cl atoms. The average Ru—P, Ru—N and Ru—Cl bond lengths are 2.3736 (8), 2.043 (2) and 2.4518 (8) Å, respectively.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.047
• wR factor = 0.106
• Data-to-parameter ratio = 19.7

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.31 Ratio
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.31 Ratio

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.04
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C16
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C1S
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT-Plus (Bruker, 1998); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

Dichloro(4,4'-di-tert-butyl-2,2'-bipyridine-κ²N,N)bis(triphenylphosphine- κP)ruthenium(II) dichloromethane solvate

Crystal data

[RuCl2(C18H24N2)2(C18H15P)2]·CH2Cl2	F(000) = 2168
Mr = 1049.83	Dx = 1.393 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 5428 reflections
a = 11.9856 (7) Å	θ = 2.3–26.4°
b = 28.2762 (16) Å	µ = 0.63 mm^−1
c = 15.1591 (9) Å	T = 100 K
β = 103.034 (1)°	Block, orange
V = 5005.2 (5) Å^3	0.30 × 0.12 × 0.10 mm
Z = 4

Data collection

Bruker SMART CCD area-detector diffractometer	11425 independent reflections
Radiation source: fine-focus sealed tube	8142 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.056
φ and ω scans	θmax = 27.5°, θmin = 1.4°
Absorption correction: multi-scan (SADABS, Sheldrick, 1996)	h = −15→8
Tmin = 0.822, Tmax = 0.941	k = −36→36
30208 measured reflections	l = −18→19

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.047	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.106	H-atom parameters constrained
S = 1.00	w = 1/[σ^2(Fo^2) + (0.0473P)^2] where P = (Fo^2 + 2Fc^2)/3
11425 reflections	(Δ/σ)max = 0.001
580 parameters	Δρmax = 0.88 e Å^−3
0 restraints	Δρmin = −0.43 e Å^−3

Special details

Experimental. The data collection covered over a hemisphere of reciprocal space by a combination of three sets of exposures; each set had a different φ angle (0, 88 and 180°) for the crystal and each exposure of 20 s covered 0.3° in ω. The crystal-to-detector distance was 4 cm and the detector swing angle was -35°. Coverage of the unique set is over 99% complete. Crystal decay was monitored by repeating 50 initial frames at the end of data collection and analysing the duplicate reflections, and was found to be negligible.

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
Ru1	0.47672 (2)	0.118734 (8)	0.635891 (16)	0.01525 (7)
P1	0.28839 (7)	0.09332 (3)	0.63754 (5)	0.01756 (17)
P2	0.66226 (7)	0.14463 (3)	0.62722 (5)	0.01694 (17)
Cl1	0.39538 (7)	0.19269 (3)	0.56387 (5)	0.02354 (18)
Cl2	0.46461 (6)	0.07722 (3)	0.49240 (5)	0.02192 (17)
N1	0.4980 (2)	0.14678 (8)	0.76260 (16)	0.0166 (5)
N2	0.5472 (2)	0.06235 (8)	0.71335 (16)	0.0165 (5)
C1	0.5471 (2)	0.11775 (10)	0.8321 (2)	0.0173 (6)
C2	0.5659 (3)	0.13225 (11)	0.9211 (2)	0.0219 (7)
H2A	0.5995	0.1108	0.9678	0.026*
C3	0.5370 (3)	0.17733 (11)	0.9438 (2)	0.0219 (7)
C4	0.4871 (3)	0.20641 (11)	0.8716 (2)	0.0233 (7)
H4A	0.4647	0.2376	0.8831	0.028*
C5	0.4699 (3)	0.19057 (10)	0.7839 (2)	0.0213 (7)
H5A	0.4367	0.2115	0.7363	0.026*
C6	0.5585 (3)	0.19462 (11)	1.0413 (2)	0.0273 (8)
C7	0.6423 (3)	0.23614 (13)	1.0532 (2)	0.0382 (9)
H7A	0.7143	0.2258	1.0391	0.057*
H7B	0.6571	0.2474	1.1159	0.057*
H7C	0.6091	0.2618	1.0122	0.057*
C8	0.6085 (3)	0.15615 (13)	1.1093 (2)	0.0389 (10)
H8A	0.5550	0.1295	1.1030	0.058*
H8B	0.6211	0.1689	1.1709	0.058*
H8C	0.6816	0.1453	1.0978	0.058*
C9	0.4451 (3)	0.21045 (13)	1.0621 (2)	0.0376 (9)
H9A	0.4130	0.2365	1.0216	0.056*
H9B	0.4585	0.2211	1.1251	0.056*
H9C	0.3913	0.1839	1.0528	0.056*
C11	0.5770 (3)	0.07051 (10)	0.8038 (2)	0.0182 (6)
C12	0.6322 (3)	0.03699 (11)	0.8638 (2)	0.0230 (7)
H12A	0.6519	0.0441	0.9266	0.028*
C13	0.6599 (3)	−0.00728 (11)	0.8341 (2)	0.0258 (7)
C14	0.6265 (3)	−0.01536 (11)	0.7422 (2)	0.0249 (7)
H14A	0.6412	−0.0452	0.7182	0.030*
C15	0.5718 (3)	0.01955 (10)	0.6846 (2)	0.0214 (7)
H15A	0.5506	0.0129	0.6215	0.026*
C16	0.7238 (4)	−0.04308 (12)	0.9028 (2)	0.0389 (10)
C17	0.7408 (5)	−0.08976 (14)	0.8582 (3)	0.0733 (17)
H17A	0.7867	−0.0846	0.8131	0.110*
H17B	0.6660	−0.1028	0.8284	0.110*
H17C	0.7805	−0.1120	0.9042	0.110*
C18	0.8379 (4)	−0.02284 (16)	0.9505 (3)	0.0748 (17)
H18A	0.8846	−0.0169	0.9063	0.112*
H18B	0.8775	−0.0454	0.9960	0.112*
H18C	0.8258	0.0069	0.9802	0.112*
C19	0.6526 (5)	−0.05251 (16)	0.9739 (3)	0.0717 (16)
H19A	0.6412	−0.0228	1.0039	0.107*
H19B	0.6932	−0.0750	1.0190	0.107*
H19C	0.5780	−0.0657	0.9441	0.107*
C21	0.2142 (3)	0.12791 (10)	0.7099 (2)	0.0194 (7)
C22	0.2547 (3)	0.12857 (11)	0.8034 (2)	0.0257 (7)
H22A	0.3206	0.1106	0.8300	0.031*
C23	0.2004 (3)	0.15516 (12)	0.8586 (2)	0.0313 (8)
H23A	0.2286	0.1548	0.9224	0.038*
C24	0.1053 (3)	0.18217 (12)	0.8205 (3)	0.0339 (9)
H24A	0.0679	0.2003	0.8580	0.041*
C25	0.0657 (3)	0.18243 (11)	0.7279 (3)	0.0313 (8)
H25A	0.0009	0.2011	0.7013	0.038*
C26	0.1196 (3)	0.15562 (11)	0.6733 (2)	0.0259 (7)
H26A	0.0913	0.1562	0.6095	0.031*
C31	0.2819 (2)	0.03189 (11)	0.6767 (2)	0.0201 (7)
C32	0.2467 (3)	0.01784 (12)	0.7539 (2)	0.0276 (8)
H32A	0.2195	0.0407	0.7900	0.033*
C33	0.2509 (3)	−0.02957 (12)	0.7786 (2)	0.0320 (8)
H33A	0.2280	−0.0388	0.8322	0.038*
C34	0.2880 (3)	−0.06318 (11)	0.7264 (2)	0.0292 (8)
H34A	0.2904	−0.0955	0.7437	0.035*
C35	0.3215 (3)	−0.04991 (11)	0.6492 (2)	0.0275 (8)
H35A	0.3468	−0.0731	0.6128	0.033*
C36	0.3185 (3)	−0.00254 (11)	0.6241 (2)	0.0232 (7)
H36A	0.3417	0.0064	0.5705	0.028*
C41	0.1801 (3)	0.09133 (10)	0.5310 (2)	0.0204 (7)
C42	0.0776 (3)	0.06723 (11)	0.5278 (2)	0.0229 (7)
H42A	0.0660	0.0511	0.5800	0.027*
C43	−0.0078 (3)	0.06675 (11)	0.4483 (2)	0.0275 (8)
H43A	−0.0779	0.0506	0.4463	0.033*
C44	0.0100 (3)	0.08984 (12)	0.3726 (2)	0.0287 (8)
H44A	−0.0479	0.0894	0.3183	0.034*
C45	0.1108 (3)	0.11349 (12)	0.3749 (2)	0.0289 (8)
H45A	0.1224	0.1291	0.3222	0.035*
C46	0.1962 (3)	0.11455 (11)	0.4546 (2)	0.0242 (7)
H46A	0.2655	0.1312	0.4563	0.029*
C51	0.7144 (3)	0.19758 (11)	0.6952 (2)	0.0214 (7)
C52	0.7394 (3)	0.19662 (12)	0.7893 (2)	0.0276 (8)
H52A	0.7314	0.1678	0.8194	0.033*
C53	0.7758 (3)	0.23672 (13)	0.8404 (2)	0.0309 (8)
H53A	0.7944	0.2350	0.9047	0.037*
C54	0.7848 (3)	0.27891 (12)	0.7976 (3)	0.0336 (9)
H54A	0.8095	0.3065	0.8322	0.040*
C55	0.7582 (3)	0.28106 (12)	0.7051 (3)	0.0344 (9)
H55A	0.7632	0.3105	0.6759	0.041*
C56	0.7239 (3)	0.24097 (11)	0.6533 (2)	0.0253 (7)
H56A	0.7070	0.2430	0.5891	0.030*
C61	0.7739 (2)	0.09965 (11)	0.6643 (2)	0.0188 (6)
C62	0.8617 (3)	0.10180 (12)	0.7407 (2)	0.0276 (8)
H62A	0.8698	0.1290	0.7784	0.033*
C63	0.9383 (3)	0.06450 (13)	0.7629 (2)	0.0347 (9)
H63A	0.9988	0.0665	0.8154	0.042*
C64	0.9272 (3)	0.02471 (12)	0.7095 (3)	0.0325 (8)
H64A	0.9789	−0.0010	0.7257	0.039*
C65	0.8408 (3)	0.02224 (12)	0.6323 (2)	0.0288 (8)
H65A	0.8338	−0.0049	0.5944	0.035*
C66	0.7643 (3)	0.05929 (11)	0.6102 (2)	0.0251 (7)
H66A	0.7043	0.0572	0.5574	0.030*
C71	0.6907 (3)	0.16080 (10)	0.5173 (2)	0.0194 (7)
C72	0.6025 (3)	0.17645 (11)	0.4465 (2)	0.0250 (7)
H72A	0.5255	0.1759	0.4529	0.030*
C73	0.6273 (3)	0.19270 (12)	0.3670 (2)	0.0313 (8)
H73A	0.5670	0.2035	0.3194	0.038*
C74	0.7389 (3)	0.19338 (11)	0.3560 (2)	0.0294 (8)
H74A	0.7553	0.2050	0.3015	0.035*
C75	0.8262 (3)	0.17702 (11)	0.4251 (2)	0.0280 (8)
H75A	0.9028	0.1768	0.4177	0.034*
C76	0.8021 (3)	0.16097 (11)	0.5048 (2)	0.0232 (7)
H76A	0.8627	0.1499	0.5520	0.028*
C1S	0.9691 (4)	0.18430 (15)	0.0824 (3)	0.0570 (13)
H1SA	1.0533	0.1853	0.0898	0.068*
H1SB	0.9380	0.2153	0.0581	0.068*
Cl1S	0.93757 (12)	0.17557 (5)	0.18780 (9)	0.0747 (4)
Cl2S	0.91231 (13)	0.13976 (5)	0.00418 (10)	0.0821 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1	0.01476 (13)	0.01473 (12)	0.01563 (12)	−0.00004 (10)	0.00213 (8)	0.00024 (10)
P1	0.0164 (4)	0.0184 (4)	0.0174 (4)	−0.0008 (3)	0.0029 (3)	0.0010 (3)
P2	0.0163 (4)	0.0169 (4)	0.0173 (4)	−0.0006 (3)	0.0033 (3)	0.0005 (3)
Cl1	0.0250 (4)	0.0198 (4)	0.0244 (4)	0.0042 (3)	0.0026 (3)	0.0042 (3)
Cl2	0.0235 (4)	0.0236 (4)	0.0183 (4)	−0.0011 (3)	0.0040 (3)	−0.0026 (3)
N1	0.0140 (13)	0.0176 (13)	0.0174 (13)	−0.0019 (10)	0.0020 (10)	−0.0029 (10)
N2	0.0148 (13)	0.0149 (12)	0.0186 (13)	−0.0019 (10)	0.0012 (10)	0.0004 (10)
C1	0.0161 (15)	0.0151 (14)	0.0211 (15)	−0.0025 (12)	0.0047 (11)	−0.0012 (13)
C2	0.0231 (18)	0.0228 (16)	0.0193 (16)	0.0006 (13)	0.0034 (13)	0.0012 (13)
C3	0.0182 (17)	0.0233 (16)	0.0239 (17)	−0.0026 (13)	0.0040 (13)	−0.0017 (13)
C4	0.0268 (18)	0.0174 (15)	0.0267 (18)	0.0033 (13)	0.0082 (13)	−0.0041 (13)
C5	0.0238 (18)	0.0179 (15)	0.0218 (17)	0.0036 (13)	0.0047 (13)	0.0026 (13)
C6	0.032 (2)	0.0259 (18)	0.0252 (18)	−0.0007 (15)	0.0090 (14)	−0.0074 (14)
C7	0.047 (3)	0.038 (2)	0.030 (2)	−0.0088 (18)	0.0082 (17)	−0.0112 (17)
C8	0.054 (3)	0.041 (2)	0.0193 (19)	0.0032 (19)	0.0034 (16)	−0.0076 (16)
C9	0.039 (2)	0.048 (2)	0.027 (2)	0.0025 (18)	0.0093 (16)	−0.0100 (17)
C11	0.0195 (17)	0.0178 (15)	0.0178 (16)	−0.0026 (12)	0.0052 (12)	−0.0005 (12)
C12	0.0301 (19)	0.0196 (16)	0.0172 (16)	0.0018 (14)	0.0006 (13)	0.0003 (13)
C13	0.0291 (19)	0.0182 (16)	0.0288 (19)	0.0032 (14)	0.0038 (14)	0.0022 (14)
C14	0.030 (2)	0.0141 (15)	0.0305 (19)	0.0030 (14)	0.0073 (14)	−0.0015 (14)
C15	0.0222 (18)	0.0201 (16)	0.0211 (17)	−0.0050 (13)	0.0032 (13)	−0.0019 (13)
C16	0.063 (3)	0.0257 (19)	0.023 (2)	0.0177 (18)	−0.0004 (17)	0.0033 (15)
C17	0.126 (5)	0.036 (2)	0.046 (3)	0.041 (3)	−0.006 (3)	0.004 (2)
C18	0.073 (4)	0.054 (3)	0.075 (4)	0.024 (3)	−0.032 (3)	0.004 (3)
C19	0.132 (5)	0.041 (3)	0.045 (3)	0.020 (3)	0.027 (3)	0.022 (2)
C21	0.0168 (16)	0.0178 (16)	0.0249 (17)	−0.0044 (12)	0.0073 (12)	−0.0018 (13)
C22	0.0217 (18)	0.0297 (19)	0.0266 (18)	−0.0014 (14)	0.0074 (13)	−0.0002 (14)
C23	0.034 (2)	0.0326 (19)	0.029 (2)	−0.0084 (16)	0.0100 (15)	−0.0057 (16)
C24	0.038 (2)	0.0252 (18)	0.046 (2)	−0.0012 (16)	0.0252 (18)	−0.0035 (17)
C25	0.033 (2)	0.0214 (17)	0.041 (2)	0.0046 (15)	0.0131 (16)	0.0063 (16)
C26	0.032 (2)	0.0200 (16)	0.0253 (18)	0.0012 (14)	0.0048 (14)	0.0028 (14)
C31	0.0127 (16)	0.0222 (16)	0.0232 (17)	−0.0029 (12)	−0.0003 (12)	0.0035 (13)
C32	0.0278 (19)	0.0282 (18)	0.0273 (19)	0.0016 (15)	0.0070 (14)	0.0013 (15)
C33	0.040 (2)	0.0313 (19)	0.0251 (19)	−0.0012 (16)	0.0082 (15)	0.0097 (15)
C34	0.033 (2)	0.0196 (17)	0.031 (2)	−0.0032 (14)	−0.0010 (15)	0.0058 (15)
C35	0.0267 (19)	0.0226 (17)	0.031 (2)	−0.0022 (14)	0.0017 (14)	−0.0008 (15)
C36	0.0225 (18)	0.0215 (16)	0.0244 (18)	−0.0045 (13)	0.0026 (13)	0.0012 (14)
C41	0.0192 (17)	0.0181 (15)	0.0218 (17)	0.0032 (13)	0.0001 (12)	−0.0018 (13)
C42	0.0215 (18)	0.0226 (16)	0.0245 (18)	0.0004 (13)	0.0052 (13)	0.0019 (14)
C43	0.0157 (17)	0.0281 (18)	0.037 (2)	−0.0021 (14)	0.0027 (14)	−0.0026 (16)
C44	0.026 (2)	0.0279 (18)	0.0279 (19)	0.0006 (15)	−0.0038 (14)	−0.0022 (15)
C45	0.0274 (19)	0.0331 (19)	0.0242 (18)	0.0022 (15)	0.0015 (14)	0.0070 (15)
C46	0.0159 (16)	0.0285 (18)	0.0272 (18)	0.0008 (14)	0.0026 (12)	0.0029 (15)
C51	0.0155 (16)	0.0217 (16)	0.0268 (18)	−0.0011 (13)	0.0047 (12)	−0.0021 (13)
C52	0.027 (2)	0.0306 (19)	0.0257 (19)	−0.0055 (15)	0.0072 (14)	−0.0013 (15)
C53	0.0230 (19)	0.045 (2)	0.0251 (19)	−0.0057 (16)	0.0065 (14)	−0.0106 (16)
C54	0.027 (2)	0.030 (2)	0.044 (2)	−0.0076 (15)	0.0085 (16)	−0.0160 (17)
C55	0.038 (2)	0.0210 (18)	0.046 (2)	−0.0058 (15)	0.0131 (17)	−0.0041 (16)
C56	0.0273 (19)	0.0210 (17)	0.0290 (19)	0.0004 (14)	0.0095 (14)	−0.0015 (14)
C61	0.0137 (16)	0.0212 (15)	0.0216 (16)	0.0000 (12)	0.0040 (12)	0.0011 (13)
C62	0.0226 (19)	0.0279 (18)	0.0300 (19)	0.0005 (14)	0.0012 (14)	−0.0028 (15)
C63	0.0220 (19)	0.042 (2)	0.033 (2)	0.0039 (16)	−0.0069 (15)	0.0047 (17)
C64	0.024 (2)	0.0297 (19)	0.044 (2)	0.0076 (15)	0.0084 (16)	0.0090 (17)
C65	0.0248 (19)	0.0276 (18)	0.035 (2)	0.0063 (14)	0.0092 (15)	0.0004 (15)
C66	0.0206 (18)	0.0282 (18)	0.0254 (18)	0.0018 (14)	0.0030 (13)	0.0008 (14)
C71	0.0256 (18)	0.0161 (15)	0.0171 (16)	−0.0041 (13)	0.0063 (12)	−0.0022 (12)
C72	0.0241 (18)	0.0259 (17)	0.0260 (18)	−0.0010 (14)	0.0076 (13)	0.0012 (14)
C73	0.038 (2)	0.0331 (19)	0.0203 (18)	−0.0014 (16)	0.0016 (15)	0.0041 (15)
C74	0.042 (2)	0.0272 (18)	0.0224 (18)	−0.0057 (16)	0.0146 (15)	0.0000 (14)
C75	0.031 (2)	0.0226 (17)	0.035 (2)	−0.0049 (15)	0.0163 (15)	−0.0061 (15)
C76	0.0232 (18)	0.0243 (17)	0.0228 (17)	−0.0018 (13)	0.0069 (13)	−0.0006 (14)
C1S	0.048 (3)	0.052 (3)	0.068 (3)	0.002 (2)	0.008 (2)	0.015 (2)
Cl1S	0.0762 (10)	0.0873 (10)	0.0512 (8)	0.0065 (7)	−0.0055 (6)	0.0198 (7)
Cl2S	0.1010 (12)	0.0662 (8)	0.0739 (10)	0.0097 (8)	0.0086 (8)	−0.0046 (7)

Geometric parameters (Å, º)

Ru1—N1	2.040 (2)	C24—H24A	0.9500
Ru1—N2	2.046 (2)	C25—C26	1.386 (5)
Ru1—P2	2.3730 (8)	C25—H25A	0.9500
Ru1—P1	2.3744 (9)	C26—H26A	0.9500
Ru1—Cl2	2.4470 (8)	C31—C32	1.389 (4)
Ru1—Cl1	2.4567 (8)	C31—C36	1.391 (4)
P1—C41	1.831 (3)	C32—C33	1.390 (4)
P1—C21	1.842 (3)	C32—H32A	0.9500
P1—C31	1.843 (3)	C33—C34	1.373 (5)
P2—C71	1.832 (3)	C33—H33A	0.9500
P2—C61	1.840 (3)	C34—C35	1.373 (5)
P2—C51	1.845 (3)	C34—H34A	0.9500
N1—C5	1.342 (4)	C35—C36	1.391 (4)
N1—C1	1.360 (4)	C35—H35A	0.9500
N2—C15	1.342 (4)	C36—H36A	0.9500
N2—C11	1.356 (4)	C41—C46	1.382 (4)
C1—C2	1.379 (4)	C41—C42	1.396 (4)
C1—C11	1.472 (4)	C42—C43	1.395 (4)
C2—C3	1.385 (4)	C42—H42A	0.9500
C2—H2A	0.9500	C43—C44	1.378 (5)
C3—C4	1.391 (4)	C43—H43A	0.9500
C3—C6	1.523 (4)	C44—C45	1.375 (4)
C4—C5	1.373 (4)	C44—H44A	0.9500
C4—H4A	0.9500	C45—C46	1.397 (4)
C5—H5A	0.9500	C45—H45A	0.9500
C6—C8	1.525 (5)	C46—H46A	0.9500
C6—C7	1.529 (5)	C51—C52	1.391 (4)
C6—C9	1.529 (5)	C51—C56	1.398 (4)
C7—H7A	0.9800	C52—C53	1.387 (5)
C7—H7B	0.9800	C52—H52A	0.9500
C7—H7C	0.9800	C53—C54	1.374 (5)
C8—H8A	0.9800	C53—H53A	0.9500
C8—H8B	0.9800	C54—C55	1.367 (5)
C8—H8C	0.9800	C54—H54A	0.9500
C9—H9A	0.9800	C55—C56	1.388 (4)
C9—H9B	0.9800	C55—H55A	0.9500
C9—H9C	0.9800	C56—H56A	0.9500
C11—C12	1.376 (4)	C61—C62	1.379 (4)
C12—C13	1.395 (4)	C61—C66	1.394 (4)
C12—H12A	0.9500	C62—C63	1.389 (5)
C13—C14	1.380 (4)	C62—H62A	0.9500
C13—C16	1.528 (4)	C63—C64	1.375 (5)
C14—C15	1.382 (4)	C63—H63A	0.9500
C14—H14A	0.9500	C64—C65	1.379 (5)
C15—H15A	0.9500	C64—H64A	0.9500
C16—C18	1.508 (6)	C65—C66	1.382 (4)
C16—C17	1.517 (5)	C65—H65A	0.9500
C16—C19	1.543 (6)	C66—H66A	0.9500
C17—H17A	0.9800	C71—C76	1.390 (4)
C17—H17B	0.9800	C71—C72	1.398 (4)
C17—H17C	0.9800	C72—C73	1.383 (5)
C18—H18A	0.9800	C72—H72A	0.9500
C18—H18B	0.9800	C73—C74	1.384 (5)
C18—H18C	0.9800	C73—H73A	0.9500
C19—H19A	0.9800	C74—C75	1.382 (5)
C19—H19B	0.9800	C74—H74A	0.9500
C19—H19C	0.9800	C75—C76	1.382 (4)
C21—C26	1.387 (4)	C75—H75A	0.9500
C21—C22	1.390 (4)	C76—H76A	0.9500
C22—C23	1.391 (5)	C1S—Cl1S	1.740 (5)
C22—H22A	0.9500	C1S—Cl2S	1.758 (5)
C23—C24	1.385 (5)	C1S—H1SA	0.9900
C23—H23A	0.9500	C1S—H1SB	0.9900
C24—C25	1.377 (5)
N1—Ru1—N2	79.32 (10)	C22—C21—P1	120.6 (2)
N1—Ru1—P2	90.72 (7)	C21—C22—C23	121.1 (3)
N2—Ru1—P2	90.09 (7)	C21—C22—H22A	119.4
N1—Ru1—P1	91.43 (7)	C23—C22—H22A	119.4
N2—Ru1—P1	91.63 (7)	C24—C23—C22	120.0 (3)
P2—Ru1—P1	177.47 (3)	C24—C23—H23A	120.0
N1—Ru1—Cl2	173.26 (7)	C22—C23—H23A	120.0
N2—Ru1—Cl2	94.04 (7)	C25—C24—C23	119.4 (3)
P2—Ru1—Cl2	88.12 (3)	C25—C24—H24A	120.3
P1—Ru1—Cl2	89.90 (3)	C23—C24—H24A	120.3
N1—Ru1—Cl1	92.32 (7)	C24—C25—C26	120.4 (3)
N2—Ru1—Cl1	171.63 (7)	C24—C25—H25A	119.8
P2—Ru1—Cl1	89.75 (3)	C26—C25—H25A	119.8
P1—Ru1—Cl1	88.82 (3)	C25—C26—C21	121.3 (3)
Cl2—Ru1—Cl1	94.32 (3)	C25—C26—H26A	119.3
C41—P1—C21	101.57 (14)	C21—C26—H26A	119.3
C41—P1—C31	100.49 (14)	C32—C31—C36	118.6 (3)
C21—P1—C31	104.32 (14)	C32—C31—P1	125.7 (3)
C41—P1—Ru1	119.11 (11)	C36—C31—P1	115.7 (2)
C21—P1—Ru1	115.69 (10)	C31—C32—C33	120.2 (3)
C31—P1—Ru1	113.46 (10)	C31—C32—H32A	119.9
C71—P2—C61	100.27 (14)	C33—C32—H32A	119.9
C71—P2—C51	101.31 (14)	C34—C33—C32	120.6 (3)
C61—P2—C51	105.03 (14)	C34—C33—H33A	119.7
C71—P2—Ru1	119.75 (10)	C32—C33—H33A	119.7
C61—P2—Ru1	113.34 (10)	C35—C34—C33	119.8 (3)
C51—P2—Ru1	115.02 (11)	C35—C34—H34A	120.1
C5—N1—C1	117.3 (3)	C33—C34—H34A	120.1
C5—N1—Ru1	126.9 (2)	C34—C35—C36	120.1 (3)
C1—N1—Ru1	115.79 (19)	C34—C35—H35A	119.9
C15—N2—C11	117.1 (3)	C36—C35—H35A	119.9
C15—N2—Ru1	127.5 (2)	C31—C36—C35	120.6 (3)
C11—N2—Ru1	115.35 (19)	C31—C36—H36A	119.7
N1—C1—C2	121.7 (3)	C35—C36—H36A	119.7
N1—C1—C11	114.4 (3)	C46—C41—C42	119.4 (3)
C2—C1—C11	123.9 (3)	C46—C41—P1	121.3 (2)
C1—C2—C3	121.4 (3)	C42—C41—P1	119.2 (2)
C1—C2—H2A	119.3	C43—C42—C41	120.2 (3)
C3—C2—H2A	119.3	C43—C42—H42A	119.9
C2—C3—C4	115.8 (3)	C41—C42—H42A	119.9
C2—C3—C6	122.6 (3)	C44—C43—C42	119.6 (3)
C4—C3—C6	121.5 (3)	C44—C43—H43A	120.2
C5—C4—C3	120.8 (3)	C42—C43—H43A	120.2
C5—C4—H4A	119.6	C45—C44—C43	120.7 (3)
C3—C4—H4A	119.6	C45—C44—H44A	119.7
N1—C5—C4	122.9 (3)	C43—C44—H44A	119.7
N1—C5—H5A	118.5	C44—C45—C46	120.1 (3)
C4—C5—H5A	118.5	C44—C45—H45A	120.0
C3—C6—C8	112.4 (3)	C46—C45—H45A	120.0
C3—C6—C7	108.9 (3)	C41—C46—C45	120.1 (3)
C8—C6—C7	108.7 (3)	C41—C46—H46A	120.0
C3—C6—C9	109.3 (3)	C45—C46—H46A	120.0
C8—C6—C9	107.6 (3)	C52—C51—C56	117.6 (3)
C7—C6—C9	110.0 (3)	C52—C51—P2	121.6 (2)
C6—C7—H7A	109.5	C56—C51—P2	120.7 (2)
C6—C7—H7B	109.5	C53—C52—C51	121.7 (3)
H7A—C7—H7B	109.5	C53—C52—H52A	119.2
C6—C7—H7C	109.5	C51—C52—H52A	119.2
H7A—C7—H7C	109.5	C54—C53—C52	119.6 (3)
H7B—C7—H7C	109.5	C54—C53—H53A	120.2
C6—C8—H8A	109.5	C52—C53—H53A	120.2
C6—C8—H8B	109.5	C55—C54—C53	119.9 (3)
H8A—C8—H8B	109.5	C55—C54—H54A	120.1
C6—C8—H8C	109.5	C53—C54—H54A	120.1
H8A—C8—H8C	109.5	C54—C55—C56	121.0 (3)
H8B—C8—H8C	109.5	C54—C55—H55A	119.5
C6—C9—H9A	109.5	C56—C55—H55A	119.5
C6—C9—H9B	109.5	C55—C56—C51	120.2 (3)
H9A—C9—H9B	109.5	C55—C56—H56A	119.9
C6—C9—H9C	109.5	C51—C56—H56A	119.9
H9A—C9—H9C	109.5	C62—C61—C66	118.4 (3)
H9B—C9—H9C	109.5	C62—C61—P2	126.2 (2)
N2—C11—C12	121.9 (3)	C66—C61—P2	115.4 (2)
N2—C11—C1	115.0 (3)	C61—C62—C63	120.5 (3)
C12—C11—C1	123.0 (3)	C61—C62—H62A	119.8
C11—C12—C13	121.3 (3)	C63—C62—H62A	119.8
C11—C12—H12A	119.4	C64—C63—C62	120.5 (3)
C13—C12—H12A	119.4	C64—C63—H63A	119.7
C14—C13—C12	116.0 (3)	C62—C63—H63A	119.7
C14—C13—C16	124.4 (3)	C63—C64—C65	119.7 (3)
C12—C13—C16	119.6 (3)	C63—C64—H64A	120.2
C13—C14—C15	120.5 (3)	C65—C64—H64A	120.2
C13—C14—H14A	119.7	C64—C65—C66	119.8 (3)
C15—C14—H14A	119.7	C64—C65—H65A	120.1
N2—C15—C14	123.2 (3)	C66—C65—H65A	120.1
N2—C15—H15A	118.4	C65—C66—C61	121.0 (3)
C14—C15—H15A	118.4	C65—C66—H66A	119.5
C18—C16—C17	110.2 (4)	C61—C66—H66A	119.5
C18—C16—C13	109.7 (3)	C76—C71—C72	118.5 (3)
C17—C16—C13	111.7 (3)	C76—C71—P2	120.4 (2)
C18—C16—C19	108.4 (4)	C72—C71—P2	121.0 (3)
C17—C16—C19	108.2 (4)	C73—C72—C71	120.1 (3)
C13—C16—C19	108.6 (3)	C73—C72—H72A	120.0
C16—C17—H17A	109.5	C71—C72—H72A	120.0
C16—C17—H17B	109.5	C72—C73—C74	120.8 (3)
H17A—C17—H17B	109.5	C72—C73—H73A	119.6
C16—C17—H17C	109.5	C74—C73—H73A	119.6
H17A—C17—H17C	109.5	C75—C74—C73	119.4 (3)
H17B—C17—H17C	109.5	C75—C74—H74A	120.3
C16—C18—H18A	109.5	C73—C74—H74A	120.3
C16—C18—H18B	109.5	C76—C75—C74	120.1 (3)
H18A—C18—H18B	109.5	C76—C75—H75A	120.0
C16—C18—H18C	109.5	C74—C75—H75A	120.0
H18A—C18—H18C	109.5	C75—C76—C71	121.1 (3)
H18B—C18—H18C	109.5	C75—C76—H76A	119.4
C16—C19—H19A	109.5	C71—C76—H76A	119.4
C16—C19—H19B	109.5	Cl1S—C1S—Cl2S	112.7 (3)
H19A—C19—H19B	109.5	Cl1S—C1S—H1SA	109.0
C16—C19—H19C	109.5	Cl2S—C1S—H1SA	109.0
H19A—C19—H19C	109.5	Cl1S—C1S—H1SB	109.0
H19B—C19—H19C	109.5	Cl2S—C1S—H1SB	109.0
C26—C21—C22	117.8 (3)	H1SA—C1S—H1SB	107.8
C26—C21—P1	121.5 (2)