trans-Dichloridobis[dicyclo-hex-yl(4-isopropyl-phen-yl)phosphane-κP]platinum(II) acetone monosolvate.

The title compound, [PtCl(2)(C(21)H(33)P)(2)]·C(3)H(6)O, crystallizes with an accompanying acetone solvent mol-ecule. The metal atom shows a distorted square-planar coordination environment, with a P-Pt-P angle of 172.41 (3)° as the most prominent feature. Both isopropyl fragments were treated as disordered over two conformations with occupancy ratios of 0.55 (2):0.45 (2) and 0.58 (2):0.42 (2). The solvent mol-ecule was also disordered over two orientations in a 1:1 ratio. The crystal studied was a non-merohedral twin with a twin component of 32.4%.

Related literature

For background to our investigation of the steric and electronic effects of group 15 ligands, see Roodt et al. (2003 ▶); Muller et al. (2006 ▶, 2008 ▶). Examples of the packing disorder observed in Vaska-type complexes of Rh, Ir, Pd and Pt are given by Chen et al. (1991 ▶), Kuwabara & Bau (1994 ▶), Otto et al. (2000 ▶) and Otto (2001 ▶), respectively. For examples of Pt complexes with phospho­rus ligands in a trans orientation, see: Otto & Roodt (1997 ▶); Johansson et al. (2000 ▶) and for examples of Pt complexes with phospho­rus ligands in a cis orientation, see: Otto & Muller (2001 ▶), Otto & Johansson (2001 ▶). For the analogous Rh complex containing a dicyclo­hex­yl(4- isopropyl­phen­yl)phosphane ligand, see: Makhoba et al. (2011 ▶). For a description of the Cambridge Structural Database, see: (Allen, 2002 ▶). For background to cone angles, see: Tolman (1977 ▶). The twinned crystal was indexing using the CELL_NOW program (Bruker, 2008 ▶).

Experimental

Crystal data

[PtCl2(C21H33P)2]·C3H6O

M = 956.96

Triclinic,

a = 10.407 (2) Å

b = 15.075 (3) Å

c = 15.766 (3) Å

α = 88.81 (3)°

β = 88.33 (3)°

γ = 74.17 (3)°

V = 2378.5 (8) Å3

Z = 2

Cu Kα radiation

μ = 7.40 mm−1

T = 293 K

0.13 × 0.13 × 0.13 mm

Data collection

Bruker APEX DUO 4K CCD diffractometer

Absorption correction: multi-scan (TWINABS; Bruker, 2008 ▶) T min = 0.446, T max = 0.446

7557 measured reflections

7557 independent reflections

7055 reflections with I > 2σ(I)

Refinement

R[F 2 > 2σ(F 2)] = 0.026

wR(F 2) = 0.067

S = 1.11

7557 reflections

557 parameters

218 restraints

H-atom parameters constrained

Δρmax = 0.72 e Å−3

Δρmin = −0.75 e Å−3

Data collection: APEX2 (Bruker, 2011 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT and XPREP (Bruker, 2008 ▶); program(s) used to solve structure: SIR97 (Altomare et al., 1999 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg & Putz, 2005 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811051841/cv5210sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811051841/cv5210Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[PtCl2(C21H33P)2]·C3H6O	Z = 2
Mr = 956.96	F(000) = 984
Triclinic, P1	Dx = 1.336 Mg m−3
Hall symbol: -P 1	Cu Kα radiation, λ = 1.54178 Å
a = 10.407 (2) Å	Cell parameters from 9391 reflections
b = 15.075 (3) Å	θ = 6.4–63.6°
c = 15.766 (3) Å	µ = 7.40 mm−1
α = 88.81 (3)°	T = 293 K
β = 88.33 (3)°	Cubic, yellow
γ = 74.17 (3)°	0.13 × 0.13 × 0.13 mm
V = 2378.5 (8) Å3

Bruker APEX DUO 4K CCD diffractometer	7557 measured reflections
Radiation source: Incoatec IµS microfocus X-ray source	7557 independent reflections
Incoatec Quazar Multilayer Mirror	7055 reflections with I > 2σ(I)
Detector resolution: 8.4 pixels mm-1	θmax = 63.7°, θmin = 5.6°
φ and ω scans	h = −12→12
Absorption correction: multi-scan (TWINABS; Bruker, 2008)	k = −17→17
Tmin = 0.446, Tmax = 0.446	l = 0→17

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)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.067	H-atom parameters constrained
S = 1.11	w = 1/[σ2(Fo2) + (0.0238P)2 + 1.6789P] where P = (Fo2 + 2Fc2)/3
7557 reflections	(Δ/σ)max = 0.002
557 parameters	Δρmax = 0.72 e Å−3
218 restraints	Δρmin = −0.75 e Å−3

Experimental. The intensity data was collected on a Bruker Apex DUO 4 K CCD diffractometer using an exposure time of 10 s/frame. A total of 5967 frames were collected with a frame width of 1° covering up to θ = 63.73° with 96.4% completeness accomplished.Analytical data: 31P {H} NMR (CDCl3, 160 MHz): δ = 21.29 (t, 1JPt—P = 2506 Hz, 2P)

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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Pt1	0.037592 (14)	0.994590 (13)	0.748013 (11)	0.04399 (7)
P1	0.01993 (9)	1.14101 (6)	0.68968 (6)	0.0418 (2)
P2	0.02439 (10)	0.85413 (6)	0.80698 (6)	0.0432 (2)
Cl1	0.03139 (13)	0.94136 (7)	0.61250 (7)	0.0659 (3)
Cl2	0.03981 (14)	1.04956 (7)	0.88342 (7)	0.0660 (3)
C1	0.0814 (4)	1.2182 (3)	0.7558 (3)	0.0494 (9)
C2	0.0177 (5)	1.3110 (3)	0.7643 (3)	0.0656 (12)
H2	−0.0607	1.3373	0.7356	0.079*
C3	0.0723 (7)	1.3656 (4)	0.8165 (4)	0.0832 (17)
H3	0.0278	1.4277	0.8224	0.1*
C4	0.1908 (7)	1.3294 (5)	0.8595 (3)	0.0879 (18)
C5	0.2539 (6)	1.2381 (5)	0.8483 (3)	0.0815 (16)
H5	0.3343	1.2124	0.8751	0.098*
C6	0.2015 (5)	1.1830 (4)	0.7983 (3)	0.0636 (12)
H6	0.2471	1.121	0.7927	0.076*
C7A	0.3262 (18)	1.4409 (18)	0.876 (2)	0.097 (6)	0.45 (2)
H7A1	0.3576	1.4763	0.9162	0.146*	0.45 (2)
H7A2	0.2972	1.4782	0.826	0.146*	0.45 (2)
H7A3	0.3973	1.3878	0.8602	0.146*	0.45 (2)
C8A	0.210 (2)	1.4100 (14)	0.9143 (9)	0.086 (6)	0.45 (2)
H8A	0.1288	1.4613	0.916	0.103*	0.45 (2)
C9A	0.239 (3)	1.3646 (16)	1.0032 (13)	0.118 (8)	0.45 (2)
H9A1	0.323	1.3176	1.0011	0.177*	0.45 (2)
H9A2	0.1691	1.3375	1.0202	0.177*	0.45 (2)
H9A3	0.2442	1.4105	1.0433	0.177*	0.45 (2)
C7B	0.268 (3)	1.4679 (13)	0.8831 (17)	0.136 (8)	0.55 (2)
H7B1	0.3167	1.4604	0.83	0.205*	0.55 (2)
H7B2	0.3076	1.5006	0.9216	0.205*	0.55 (2)
H7B3	0.1768	1.5021	0.874	0.205*	0.55 (2)
C8B	0.2710 (15)	1.3744 (10)	0.9204 (9)	0.083 (4)	0.55 (2)
H8B	0.3572	1.3359	0.9399	0.099*	0.55 (2)
C9B	0.161 (3)	1.421 (2)	0.9913 (17)	0.176 (11)	0.55 (2)
H9B1	0.2036	1.4437	1.036	0.264*	0.55 (2)
H9B2	0.1201	1.3753	1.0142	0.264*	0.55 (2)
H9B3	0.0947	1.4705	0.9664	0.264*	0.55 (2)
C10	0.1063 (4)	1.1447 (3)	0.5869 (3)	0.0458 (9)
H10	0.0679	1.1107	0.5468	0.055*
C11	0.0853 (4)	1.2419 (3)	0.5505 (3)	0.0586 (11)
H11A	−0.0096	1.2707	0.5449	0.07*
H11B	0.1199	1.2784	0.5893	0.07*
C12	0.1548 (5)	1.2412 (4)	0.4643 (3)	0.0662 (12)
H12A	0.1131	1.2109	0.4238	0.079*
H12B	0.1438	1.3042	0.4447	0.079*
C13	0.3016 (5)	1.1922 (4)	0.4674 (3)	0.0741 (14)
H13A	0.3457	1.2268	0.5023	0.089*
H13B	0.3408	1.1892	0.4106	0.089*
C14	0.3238 (5)	1.0952 (4)	0.5039 (4)	0.0832 (16)
H14A	0.4189	1.0668	0.5085	0.1*
H14B	0.2887	1.0587	0.4654	0.1*
C15	0.2562 (4)	1.0950 (4)	0.5911 (3)	0.0653 (12)
H15A	0.2978	1.1257	0.6313	0.078*
H15B	0.2679	1.032	0.6106	0.078*
C16	−0.1595 (4)	1.1997 (3)	0.6715 (3)	0.0484 (9)
H16	−0.1668	1.2643	0.6566	0.058*
C17	−0.2442 (4)	1.1980 (4)	0.7524 (3)	0.0628 (12)
H17A	−0.2135	1.23	0.797	0.075*
H17B	−0.2323	1.1345	0.771	0.075*
C18	−0.3934 (5)	1.2436 (4)	0.7382 (4)	0.0773 (15)
H18A	−0.4439	1.2381	0.7898	0.093*
H18B	−0.4066	1.3087	0.7257	0.093*
C19	−0.4455 (5)	1.2000 (4)	0.6665 (4)	0.0807 (16)
H19A	−0.5385	1.2322	0.6576	0.097*
H19B	−0.44	1.1362	0.6808	0.097*
C20	−0.3643 (5)	1.2044 (4)	0.5858 (4)	0.0804 (16)
H20A	−0.3757	1.2684	0.5693	0.096*
H20B	−0.3967	1.1744	0.5405	0.096*
C21	−0.2151 (4)	1.1573 (4)	0.5983 (3)	0.0660 (13)
H21A	−0.2029	1.0921	0.6099	0.079*
H21B	−0.1656	1.1633	0.5464	0.079*
C22	0.0841 (4)	0.7531 (3)	0.7397 (3)	0.0533 (10)
C23	0.1963 (5)	0.7467 (3)	0.6873 (3)	0.0678 (12)
H23	0.2379	0.7941	0.686	0.081*
C24	0.2460 (6)	0.6698 (4)	0.6371 (4)	0.0872 (17)
H24	0.3212	0.6667	0.6028	0.105*
C25	0.1880 (7)	0.5978 (4)	0.6362 (4)	0.0860 (17)
C26	0.0768 (7)	0.6035 (3)	0.6886 (4)	0.0805 (17)
H26	0.0364	0.5555	0.6898	0.097*
C27	0.0243 (5)	0.6806 (3)	0.7398 (3)	0.0609 (11)
H27	−0.051	0.6836	0.774	0.073*
C28A	0.306 (3)	0.4329 (13)	0.6221 (17)	0.120 (9)	0.42 (2)
H28A	0.2328	0.4201	0.6539	0.18*	0.42 (2)
H28B	0.3733	0.4385	0.6604	0.18*	0.42 (2)
H28C	0.3431	0.3835	0.5837	0.18*	0.42 (2)
C29A	0.257 (3)	0.5213 (13)	0.5729 (13)	0.104 (8)	0.42 (2)
H29A	0.3268	0.537	0.5377	0.124*	0.42 (2)
C30A	0.145 (3)	0.504 (2)	0.521 (2)	0.157 (12)	0.42 (2)
H30A	0.1826	0.4622	0.476	0.236*	0.42 (2)
H30B	0.0921	0.5609	0.4978	0.236*	0.42 (2)
H30C	0.0892	0.4767	0.5572	0.236*	0.42 (2)
C28B	0.369 (2)	0.459 (2)	0.5965 (19)	0.180 (12)	0.58 (2)
H28D	0.3917	0.4001	0.569	0.269*	0.58 (2)
H28E	0.3865	0.4496	0.656	0.269*	0.58 (2)
H28F	0.423	0.496	0.5721	0.269*	0.58 (2)
C29B	0.224 (2)	0.5068 (12)	0.5845 (11)	0.118 (8)	0.58 (2)
H29B	0.164	0.4675	0.5966	0.141*	0.58 (2)
C30B	0.230 (3)	0.5352 (14)	0.4902 (10)	0.165 (11)	0.58 (2)
H30D	0.3077	0.5565	0.4796	0.248*	0.58 (2)
H30E	0.1514	0.5837	0.4772	0.248*	0.58 (2)
H30F	0.2343	0.483	0.4553	0.248*	0.58 (2)
C31	−0.1547 (4)	0.8613 (3)	0.8346 (3)	0.0529 (10)
H31	−0.1604	0.7995	0.8517	0.063*
C32	−0.2056 (5)	0.9263 (4)	0.9089 (3)	0.0707 (14)
H32A	−0.1953	0.9869	0.8945	0.085*
H32B	−0.1528	0.9033	0.9584	0.085*
C33	−0.3531 (5)	0.9340 (5)	0.9297 (4)	0.0915 (19)
H33A	−0.3621	0.8743	0.9487	0.11*
H33B	−0.3836	0.977	0.9758	0.11*
C34	−0.4399 (5)	0.9666 (5)	0.8535 (4)	0.0893 (17)
H34A	−0.5317	0.9682	0.8681	0.107*
H34B	−0.4373	1.0285	0.8373	0.107*
C35	−0.3911 (5)	0.9028 (5)	0.7804 (4)	0.0872 (17)
H35A	−0.4443	0.9263	0.7312	0.105*
H35B	−0.403	0.8426	0.7948	0.105*
C36	−0.2425 (4)	0.8926 (4)	0.7578 (3)	0.0669 (12)
H36A	−0.2136	0.848	0.7129	0.08*
H36B	−0.2321	0.9513	0.737	0.08*
C37	0.1175 (4)	0.8193 (3)	0.9054 (3)	0.0499 (9)
H37	0.0799	0.8676	0.9469	0.06*
C38	0.1019 (5)	0.7284 (3)	0.9450 (3)	0.0626 (11)
H38A	0.0079	0.7338	0.9561	0.075*
H38B	0.1356	0.6788	0.9051	0.075*
C39	0.1774 (6)	0.7053 (4)	1.0273 (3)	0.0748 (14)
H39A	0.136	0.7509	1.0695	0.09*
H39B	0.1712	0.6457	1.0484	0.09*
C40	0.3235 (6)	0.7030 (4)	1.0157 (4)	0.0810 (16)
H40A	0.3678	0.6525	0.9789	0.097*
H40B	0.3663	0.6922	1.0702	0.097*
C41	0.3392 (6)	0.7933 (4)	0.9772 (4)	0.0868 (16)
H41A	0.4333	0.7884	0.9673	0.104*
H41B	0.3036	0.843	1.0167	0.104*
C42	0.2655 (5)	0.8157 (4)	0.8929 (3)	0.0690 (13)
H42A	0.2731	0.8747	0.871	0.083*
H42B	0.3066	0.769	0.8516	0.083*
C46	0.3293 (9)	0.4367 (8)	0.2435 (7)	0.159 (3)
C47A	0.408 (3)	0.3606 (18)	0.297 (2)	0.236 (17)	0.50 (3)
H47A	0.4584	0.3845	0.3363	0.354*	0.50 (3)
H47B	0.4677	0.3157	0.2617	0.354*	0.50 (3)
H47C	0.3485	0.3321	0.3279	0.354*	0.50 (3)
C45A	0.379 (4)	0.5040 (19)	0.1990 (19)	0.193 (12)	0.50 (3)
H45A	0.3119	0.5385	0.1612	0.289*	0.50 (3)
H45B	0.4577	0.4739	0.1668	0.289*	0.50 (3)
H45C	0.3997	0.5449	0.2388	0.289*	0.50 (3)
O1A	0.2100 (18)	0.438 (3)	0.234 (2)	0.287 (17)	0.50 (3)
C47B	0.349 (4)	0.3403 (15)	0.267 (3)	0.246 (17)	0.50 (3)
H47D	0.4393	0.3144	0.2844	0.368*	0.50 (3)
H47E	0.3312	0.3071	0.2197	0.368*	0.50 (3)
H47F	0.2888	0.3358	0.3136	0.368*	0.50 (3)
C45B	0.443 (3)	0.439 (3)	0.183 (2)	0.239 (16)	0.50 (3)
H45D	0.4117	0.4826	0.1385	0.358*	0.50 (3)
H45E	0.48	0.3787	0.1599	0.358*	0.50 (3)
H45F	0.5113	0.4563	0.2136	0.358*	0.50 (3)
O1B	0.254 (4)	0.5038 (19)	0.273 (2)	0.35 (2)	0.50 (3)

	U11	U22	U33	U12	U13	U23
Pt1	0.05352 (10)	0.04342 (10)	0.03564 (10)	−0.01379 (8)	−0.00328 (8)	−0.00393 (6)
P1	0.0444 (5)	0.0402 (5)	0.0407 (5)	−0.0105 (4)	−0.0071 (4)	−0.0027 (4)
P2	0.0507 (5)	0.0397 (5)	0.0386 (5)	−0.0111 (4)	0.0006 (4)	−0.0036 (4)
Cl1	0.1075 (8)	0.0549 (6)	0.0398 (6)	−0.0287 (6)	−0.0075 (5)	−0.0074 (4)
Cl2	0.1064 (8)	0.0555 (6)	0.0386 (6)	−0.0255 (6)	−0.0045 (5)	−0.0083 (4)
C1	0.058 (2)	0.052 (2)	0.042 (2)	−0.0203 (18)	−0.0018 (17)	−0.0065 (17)
C2	0.085 (3)	0.055 (3)	0.061 (3)	−0.024 (2)	−0.003 (2)	−0.011 (2)
C3	0.128 (5)	0.063 (3)	0.071 (4)	−0.049 (3)	0.012 (3)	−0.016 (3)
C4	0.128 (5)	0.112 (5)	0.054 (3)	−0.081 (4)	−0.007 (3)	−0.010 (3)
C5	0.088 (4)	0.112 (5)	0.065 (3)	−0.059 (3)	−0.020 (3)	−0.004 (3)
C6	0.063 (3)	0.072 (3)	0.060 (3)	−0.023 (2)	−0.017 (2)	−0.001 (2)
C7A	0.074 (9)	0.101 (15)	0.131 (13)	−0.048 (9)	0.006 (9)	−0.044 (11)
C8A	0.101 (12)	0.103 (13)	0.075 (9)	−0.060 (10)	−0.011 (8)	−0.026 (8)
C9A	0.17 (2)	0.136 (18)	0.073 (10)	−0.077 (14)	−0.043 (11)	−0.020 (10)
C7B	0.22 (2)	0.094 (12)	0.129 (14)	−0.097 (16)	−0.061 (15)	0.004 (11)
C8B	0.088 (9)	0.073 (8)	0.093 (9)	−0.030 (7)	−0.032 (6)	−0.009 (6)
C9B	0.22 (2)	0.22 (3)	0.125 (16)	−0.132 (17)	0.046 (14)	−0.116 (16)
C10	0.0449 (19)	0.047 (2)	0.045 (2)	−0.0120 (16)	−0.0055 (16)	−0.0039 (17)
C11	0.061 (2)	0.060 (3)	0.052 (3)	−0.013 (2)	0.0007 (19)	0.003 (2)
C12	0.078 (3)	0.075 (3)	0.051 (3)	−0.029 (2)	−0.003 (2)	0.006 (2)
C13	0.070 (3)	0.100 (4)	0.059 (3)	−0.036 (3)	0.008 (2)	−0.005 (3)
C14	0.060 (3)	0.092 (4)	0.085 (4)	−0.002 (3)	0.018 (3)	−0.010 (3)
C15	0.051 (2)	0.068 (3)	0.070 (3)	−0.005 (2)	−0.002 (2)	0.002 (2)
C16	0.046 (2)	0.048 (2)	0.050 (2)	−0.0098 (17)	−0.0083 (17)	0.0025 (17)
C17	0.055 (2)	0.078 (3)	0.057 (3)	−0.020 (2)	0.004 (2)	−0.012 (2)
C18	0.053 (2)	0.095 (4)	0.080 (4)	−0.013 (2)	0.010 (2)	−0.014 (3)
C19	0.047 (2)	0.101 (4)	0.094 (4)	−0.019 (3)	−0.011 (2)	−0.004 (3)
C20	0.055 (3)	0.107 (4)	0.077 (4)	−0.017 (3)	−0.022 (2)	−0.005 (3)
C21	0.054 (2)	0.089 (4)	0.053 (3)	−0.015 (2)	−0.011 (2)	−0.015 (2)
C22	0.065 (2)	0.045 (2)	0.046 (2)	−0.0091 (19)	−0.0069 (19)	−0.0033 (18)
C23	0.072 (3)	0.059 (3)	0.067 (3)	−0.010 (2)	0.013 (2)	−0.010 (2)
C24	0.095 (4)	0.078 (4)	0.071 (4)	0.006 (3)	0.020 (3)	−0.012 (3)
C25	0.117 (5)	0.056 (3)	0.065 (4)	0.011 (3)	−0.004 (3)	−0.015 (3)
C26	0.123 (5)	0.041 (3)	0.077 (4)	−0.018 (3)	−0.018 (3)	−0.008 (2)
C27	0.079 (3)	0.047 (2)	0.054 (3)	−0.011 (2)	−0.005 (2)	−0.006 (2)
C28A	0.18 (2)	0.038 (8)	0.116 (16)	0.013 (11)	0.015 (13)	−0.020 (8)
C29A	0.168 (17)	0.043 (8)	0.083 (15)	0.002 (11)	0.013 (11)	−0.032 (7)
C30A	0.20 (2)	0.118 (19)	0.13 (2)	0.006 (15)	−0.030 (16)	−0.080 (16)
C28B	0.175 (15)	0.14 (2)	0.160 (19)	0.069 (15)	−0.010 (15)	−0.053 (15)
C29B	0.144 (11)	0.094 (14)	0.093 (10)	0.003 (10)	0.008 (9)	−0.028 (9)
C30B	0.25 (3)	0.120 (14)	0.078 (9)	0.031 (14)	0.013 (11)	−0.039 (8)
C31	0.052 (2)	0.060 (3)	0.050 (3)	−0.0199 (19)	0.0091 (18)	−0.0065 (19)
C32	0.060 (3)	0.096 (4)	0.055 (3)	−0.019 (3)	0.012 (2)	−0.025 (3)
C33	0.068 (3)	0.126 (5)	0.077 (4)	−0.022 (3)	0.026 (3)	−0.024 (4)
C34	0.055 (3)	0.105 (5)	0.100 (5)	−0.010 (3)	0.015 (3)	−0.011 (4)
C35	0.062 (3)	0.116 (5)	0.085 (4)	−0.024 (3)	−0.006 (3)	−0.015 (3)
C36	0.057 (2)	0.087 (4)	0.053 (3)	−0.013 (2)	−0.004 (2)	−0.009 (2)
C37	0.060 (2)	0.049 (2)	0.041 (2)	−0.0148 (18)	−0.0027 (17)	−0.0010 (17)
C38	0.078 (3)	0.063 (3)	0.050 (3)	−0.024 (2)	−0.010 (2)	0.007 (2)
C39	0.102 (4)	0.068 (3)	0.051 (3)	−0.017 (3)	−0.010 (3)	0.013 (2)
C40	0.086 (4)	0.081 (4)	0.066 (3)	−0.004 (3)	−0.026 (3)	0.007 (3)
C41	0.077 (3)	0.100 (4)	0.086 (4)	−0.027 (3)	−0.028 (3)	0.011 (3)
C42	0.062 (3)	0.080 (3)	0.068 (3)	−0.023 (2)	−0.011 (2)	0.013 (3)
C46	0.112 (5)	0.151 (7)	0.200 (10)	−0.018 (6)	0.020 (7)	0.019 (7)
C47A	0.24 (3)	0.116 (18)	0.37 (4)	−0.063 (18)	−0.07 (3)	0.051 (19)
C45A	0.22 (3)	0.128 (19)	0.25 (3)	−0.078 (19)	0.00 (2)	0.003 (16)
O1A	0.137 (11)	0.31 (4)	0.42 (4)	−0.081 (16)	−0.014 (17)	0.08 (3)
C47B	0.19 (3)	0.174 (14)	0.37 (5)	−0.06 (2)	−0.02 (3)	0.07 (2)
C45B	0.17 (2)	0.28 (4)	0.25 (3)	−0.05 (2)	0.053 (18)	0.05 (3)
O1B	0.30 (4)	0.22 (2)	0.43 (4)	0.09 (2)	0.12 (3)	0.00 (2)

Pt1—Cl1	2.3065 (12)	C24—C25	1.379 (9)
Pt1—Cl2	2.3090 (12)	C24—H24	0.93
Pt1—P2	2.3315 (11)	C25—C26	1.387 (9)
Pt1—P1	2.3358 (11)	C25—C29A	1.547 (16)
P1—C1	1.829 (4)	C25—C29B	1.561 (15)
P1—C10	1.838 (4)	C26—C27	1.404 (7)
P1—C16	1.863 (4)	C26—H26	0.93
P2—C22	1.828 (4)	C27—H27	0.93
P2—C37	1.844 (4)	C28A—C29A	1.500 (18)
P2—C31	1.877 (4)	C28A—H28A	0.96
C1—C2	1.383 (6)	C28A—H28B	0.96
C1—C6	1.402 (6)	C28A—H28C	0.96
C2—C3	1.410 (7)	C29A—C30A	1.525 (19)
C2—H2	0.93	C29A—H29A	0.98
C3—C4	1.394 (9)	C30A—H30A	0.96
C3—H3	0.93	C30A—H30B	0.96
C4—C5	1.367 (9)	C30A—H30C	0.96
C4—C8A	1.566 (14)	C28B—C29B	1.509 (18)
C4—C8B	1.570 (12)	C28B—H28D	0.96
C5—C6	1.382 (6)	C28B—H28E	0.96
C5—H5	0.93	C28B—H28F	0.96
C6—H6	0.93	C29B—C30B	1.542 (18)
C7A—C8A	1.515 (16)	C29B—H29B	0.98
C7A—H7A1	0.96	C30B—H30D	0.96
C7A—H7A2	0.96	C30B—H30E	0.96
C7A—H7A3	0.96	C30B—H30F	0.96
C8A—C9A	1.547 (17)	C31—C36	1.525 (6)
C8A—H8A	0.98	C31—C32	1.530 (6)
C9A—H9A1	0.96	C31—H31	0.98
C9A—H9A2	0.96	C32—C33	1.533 (7)
C9A—H9A3	0.96	C32—H32A	0.97
C7B—C8B	1.507 (16)	C32—H32B	0.97
C7B—H7B1	0.96	C33—C34	1.517 (9)
C7B—H7B2	0.96	C33—H33A	0.97
C7B—H7B3	0.96	C33—H33B	0.97
C8B—C9B	1.600 (17)	C34—C35	1.503 (8)
C8B—H8B	0.98	C34—H34A	0.97
C9B—H9B1	0.96	C34—H34B	0.97
C9B—H9B2	0.96	C35—C36	1.544 (7)
C9B—H9B3	0.96	C35—H35A	0.97
C10—C11	1.525 (6)	C35—H35B	0.97
C10—C15	1.538 (6)	C36—H36A	0.97
C10—H10	0.98	C36—H36B	0.97
C11—C12	1.519 (6)	C37—C42	1.533 (6)
C11—H11A	0.97	C37—C38	1.540 (6)
C11—H11B	0.97	C37—H37	0.98
C12—C13	1.506 (7)	C38—C39	1.522 (6)
C12—H12A	0.97	C38—H38A	0.97
C12—H12B	0.97	C38—H38B	0.97
C13—C14	1.519 (8)	C39—C40	1.517 (8)
C13—H13A	0.97	C39—H39A	0.97
C13—H13B	0.97	C39—H39B	0.97
C14—C15	1.526 (7)	C40—C41	1.526 (8)
C14—H14A	0.97	C40—H40A	0.97
C14—H14B	0.97	C40—H40B	0.97
C15—H15A	0.97	C41—C42	1.539 (7)
C15—H15B	0.97	C41—H41A	0.97
C16—C21	1.532 (6)	C41—H41B	0.97
C16—C17	1.533 (6)	C42—H42A	0.97
C16—H16	0.98	C42—H42B	0.97
C17—C18	1.539 (7)	C46—O1B	1.193 (14)
C17—H17A	0.97	C46—O1A	1.249 (14)
C17—H17B	0.97	C46—C45A	1.420 (15)
C18—C19	1.505 (7)	C46—C47B	1.455 (16)
C18—H18A	0.97	C46—C47A	1.479 (16)
C18—H18B	0.97	C46—C45B	1.503 (16)
C19—C20	1.516 (8)	C47A—H47A	0.96
C19—H19A	0.97	C47A—H47B	0.96
C19—H19B	0.97	C47A—H47C	0.96
C20—C21	1.537 (6)	C45A—H45A	0.96
C20—H20A	0.97	C45A—H45B	0.96
C20—H20B	0.97	C45A—H45C	0.96
C21—H21A	0.97	C47B—H47D	0.96
C21—H21B	0.97	C47B—H47E	0.96
C22—C23	1.393 (7)	C47B—H47F	0.96
C22—C27	1.397 (6)	C45B—H45D	0.96
C23—C24	1.388 (7)	C45B—H45E	0.96
C23—H23	0.93	C45B—H45F	0.96
Cl1—Pt1—Cl2	178.94 (4)	C25—C24—H24	118.8
Cl1—Pt1—P2	91.33 (4)	C23—C24—H24	118.8
Cl2—Pt1—P2	88.98 (4)	C24—C25—C26	117.7 (5)
Cl1—Pt1—P1	88.54 (4)	C24—C25—C29A	113.6 (13)
Cl2—Pt1—P1	91.02 (4)	C26—C25—C29A	128.7 (13)
P2—Pt1—P1	172.41 (3)	C24—C25—C29B	131.6 (10)
C1—P1—C10	103.70 (19)	C26—C25—C29B	110.7 (10)
C1—P1—C16	106.24 (19)	C25—C26—C27	120.9 (5)
C10—P1—C16	105.70 (18)	C25—C26—H26	119.6
C1—P1—Pt1	115.25 (14)	C27—C26—H26	119.6
C10—P1—Pt1	116.19 (13)	C22—C27—C26	120.6 (5)
C16—P1—Pt1	108.92 (14)	C22—C27—H27	119.7
C22—P2—C37	103.27 (19)	C26—C27—H27	119.7
C22—P2—C31	105.9 (2)	C28A—C29A—C30A	103 (3)
C37—P2—C31	106.2 (2)	C28A—C29A—C25	108.0 (17)
C22—P2—Pt1	116.34 (15)	C30A—C29A—C25	105.8 (17)
C37—P2—Pt1	115.10 (14)	C28A—C29A—H29A	113.1
C31—P2—Pt1	109.17 (15)	C30A—C29A—H29A	113.1
C2—C1—C6	117.6 (4)	C25—C29A—H29A	113.1
C2—C1—P1	123.4 (3)	C29B—C28B—H28D	109.5
C6—C1—P1	118.9 (3)	C29B—C28B—H28E	109.5
C1—C2—C3	119.7 (5)	H28D—C28B—H28E	109.5
C1—C2—H2	120.2	C29B—C28B—H28F	109.5
C3—C2—H2	120.2	H28D—C28B—H28F	109.5
C4—C3—C2	122.1 (5)	H28E—C28B—H28F	109.5
C4—C3—H3	118.9	C28B—C29B—C30B	99 (3)
C2—C3—H3	118.9	C28B—C29B—C25	108.1 (16)
C5—C4—C3	117.2 (5)	C30B—C29B—C25	106.5 (14)
C5—C4—C8A	136.9 (11)	C28B—C29B—H29B	113.9
C3—C4—C8A	105.8 (10)	C30B—C29B—H29B	113.9
C5—C4—C8B	110.8 (8)	C25—C29B—H29B	113.9
C3—C4—C8B	132.0 (8)	C29B—C30B—H30D	109.5
C4—C5—C6	121.7 (5)	C29B—C30B—H30E	109.5
C4—C5—H5	119.1	H30D—C30B—H30E	109.5
C6—C5—H5	119.1	C29B—C30B—H30F	109.5
C5—C6—C1	121.7 (5)	H30D—C30B—H30F	109.5
C5—C6—H6	119.2	H30E—C30B—H30F	109.5
C1—C6—H6	119.2	C36—C31—C32	110.3 (4)
C7A—C8A—C9A	113 (3)	C36—C31—P2	110.8 (3)
C7A—C8A—C4	107.9 (16)	C32—C31—P2	111.0 (3)
C9A—C8A—C4	102.9 (15)	C36—C31—H31	108.2
C7A—C8A—H8A	110.8	C32—C31—H31	108.2
C9A—C8A—H8A	110.8	P2—C31—H31	108.2
C4—C8A—H8A	110.8	C31—C32—C33	110.9 (4)
C8B—C7B—H7B1	109.5	C31—C32—H32A	109.5
C8B—C7B—H7B2	109.5	C33—C32—H32A	109.5
H7B1—C7B—H7B2	109.5	C31—C32—H32B	109.5
C8B—C7B—H7B3	109.5	C33—C32—H32B	109.5
H7B1—C7B—H7B3	109.5	H32A—C32—H32B	108
H7B2—C7B—H7B3	109.5	C34—C33—C32	111.7 (5)
C7B—C8B—C4	106.7 (14)	C34—C33—H33A	109.3
C7B—C8B—C9B	91 (2)	C32—C33—H33A	109.3
C4—C8B—C9B	103.0 (12)	C34—C33—H33B	109.3
C7B—C8B—H8B	117.4	C32—C33—H33B	109.3
C4—C8B—H8B	117.4	H33A—C33—H33B	107.9
C9B—C8B—H8B	117.4	C35—C34—C33	110.1 (5)
C8B—C9B—H9B1	109.5	C35—C34—H34A	109.6
C8B—C9B—H9B2	109.5	C33—C34—H34A	109.6
H9B1—C9B—H9B2	109.5	C35—C34—H34B	109.6
C8B—C9B—H9B3	109.5	C33—C34—H34B	109.6
H9B1—C9B—H9B3	109.5	H34A—C34—H34B	108.2
H9B2—C9B—H9B3	109.5	C34—C35—C36	112.0 (4)
C11—C10—C15	110.5 (4)	C34—C35—H35A	109.2
C11—C10—P1	113.5 (3)	C36—C35—H35A	109.2
C15—C10—P1	111.8 (3)	C34—C35—H35B	109.2
C11—C10—H10	106.9	C36—C35—H35B	109.2
C15—C10—H10	106.9	H35A—C35—H35B	107.9
P1—C10—H10	106.9	C31—C36—C35	111.5 (4)
C12—C11—C10	111.5 (4)	C31—C36—H36A	109.3
C12—C11—H11A	109.3	C35—C36—H36A	109.3
C10—C11—H11A	109.3	C31—C36—H36B	109.3
C12—C11—H11B	109.3	C35—C36—H36B	109.3
C10—C11—H11B	109.3	H36A—C36—H36B	108
H11A—C11—H11B	108	C42—C37—C38	110.8 (4)
C13—C12—C11	112.0 (4)	C42—C37—P2	111.7 (3)
C13—C12—H12A	109.2	C38—C37—P2	113.9 (3)
C11—C12—H12A	109.2	C42—C37—H37	106.7
C13—C12—H12B	109.2	C38—C37—H37	106.7
C11—C12—H12B	109.2	P2—C37—H37	106.7
H12A—C12—H12B	107.9	C39—C38—C37	111.2 (4)
C12—C13—C14	111.0 (4)	C39—C38—H38A	109.4
C12—C13—H13A	109.4	C37—C38—H38A	109.4
C14—C13—H13A	109.4	C39—C38—H38B	109.4
C12—C13—H13B	109.4	C37—C38—H38B	109.4
C14—C13—H13B	109.4	H38A—C38—H38B	108
H13A—C13—H13B	108	C40—C39—C38	112.1 (4)
C13—C14—C15	112.0 (4)	C40—C39—H39A	109.2
C13—C14—H14A	109.2	C38—C39—H39A	109.2
C15—C14—H14A	109.2	C40—C39—H39B	109.2
C13—C14—H14B	109.2	C38—C39—H39B	109.2
C15—C14—H14B	109.2	H39A—C39—H39B	107.9
H14A—C14—H14B	107.9	C39—C40—C41	111.4 (4)
C14—C15—C10	110.5 (4)	C39—C40—H40A	109.4
C14—C15—H15A	109.6	C41—C40—H40A	109.4
C10—C15—H15A	109.6	C39—C40—H40B	109.4
C14—C15—H15B	109.6	C41—C40—H40B	109.4
C10—C15—H15B	109.6	H40A—C40—H40B	108
H15A—C15—H15B	108.1	C40—C41—C42	110.9 (5)
C21—C16—C17	109.8 (4)	C40—C41—H41A	109.5
C21—C16—P1	112.3 (3)	C42—C41—H41A	109.5
C17—C16—P1	110.9 (3)	C40—C41—H41B	109.5
C21—C16—H16	107.9	C42—C41—H41B	109.5
C17—C16—H16	107.9	H41A—C41—H41B	108.1
P1—C16—H16	107.9	C37—C42—C41	110.8 (4)
C16—C17—C18	111.9 (4)	C37—C42—H42A	109.5
C16—C17—H17A	109.2	C41—C42—H42A	109.5
C18—C17—H17A	109.2	C37—C42—H42B	109.5
C16—C17—H17B	109.2	C41—C42—H42B	109.5
C18—C17—H17B	109.2	H42A—C42—H42B	108.1
H17A—C17—H17B	107.9	O1B—C46—O1A	68.0 (18)
C19—C18—C17	111.8 (4)	O1B—C46—C45A	81.9 (18)
C19—C18—H18A	109.2	O1A—C46—C45A	118.3 (18)
C17—C18—H18A	109.2	O1B—C46—C47B	129 (2)
C19—C18—H18B	109.2	O1A—C46—C47B	85.2 (17)
C17—C18—H18B	109.2	C45A—C46—C47B	148 (2)
H18A—C18—H18B	107.9	O1B—C46—C47A	122 (2)
C18—C19—C20	110.1 (4)	O1A—C46—C47A	115.4 (17)
C18—C19—H19A	109.6	C45A—C46—C47A	126.2 (18)
C20—C19—H19A	109.6	O1B—C46—C45B	124 (2)
C18—C19—H19B	109.6	O1A—C46—C45B	134 (2)
C20—C19—H19B	109.6	C47B—C46—C45B	105.7 (19)
H19A—C19—H19B	108.2	C47A—C46—C45B	95 (2)
C19—C20—C21	111.3 (4)	C46—C47A—H47A	109.5
C19—C20—H20A	109.4	C46—C47A—H47B	109.5
C21—C20—H20A	109.4	C46—C47A—H47C	109.5
C19—C20—H20B	109.4	C46—C45A—H45A	109.5
C21—C20—H20B	109.4	C46—C45A—H45B	109.5
H20A—C20—H20B	108	C46—C45A—H45C	109.5
C16—C21—C20	111.7 (4)	C46—C47B—H47D	109.5
C16—C21—H21A	109.3	C46—C47B—H47E	109.5
C20—C21—H21A	109.3	H47D—C47B—H47E	109.5
C16—C21—H21B	109.3	C46—C47B—H47F	109.5
C20—C21—H21B	109.3	H47D—C47B—H47F	109.5
H21A—C21—H21B	107.9	H47E—C47B—H47F	109.5
C23—C22—C27	118.2 (4)	C46—C45B—H45D	109.5
C23—C22—P2	118.7 (3)	C46—C45B—H45E	109.5
C27—C22—P2	123.1 (3)	H45D—C45B—H45E	109.5
C24—C23—C22	120.1 (5)	C46—C45B—H45F	109.5
C24—C23—H23	120	H45D—C45B—H45F	109.5
C22—C23—H23	120	H45E—C45B—H45F	109.5
C25—C24—C23	122.5 (5)
Cl1—Pt1—P1—C1	−157.29 (15)	C16—C17—C18—C19	55.9 (6)
Cl2—Pt1—P1—C1	23.67 (15)	C17—C18—C19—C20	−56.7 (7)
Cl1—Pt1—P1—C10	−35.71 (14)	C18—C19—C20—C21	57.1 (7)
Cl2—Pt1—P1—C10	145.25 (14)	C17—C16—C21—C20	54.3 (6)
Cl1—Pt1—P1—C16	83.46 (15)	P1—C16—C21—C20	178.2 (4)
Cl2—Pt1—P1—C16	−95.57 (15)	C19—C20—C21—C16	−56.9 (6)
Cl1—Pt1—P2—C22	24.79 (16)	C37—P2—C22—C23	−89.4 (4)
Cl2—Pt1—P2—C22	−156.22 (16)	C31—P2—C22—C23	159.2 (4)
Cl1—Pt1—P2—C37	145.77 (15)	Pt1—P2—C22—C23	37.7 (4)
Cl2—Pt1—P2—C37	−35.24 (15)	C37—P2—C22—C27	89.2 (4)
Cl1—Pt1—P2—C31	−94.97 (15)	C31—P2—C22—C27	−22.3 (4)
Cl2—Pt1—P2—C31	84.02 (15)	Pt1—P2—C22—C27	−143.8 (3)
C10—P1—C1—C2	92.3 (4)	C27—C22—C23—C24	−0.2 (7)
C16—P1—C1—C2	−18.9 (4)	P2—C22—C23—C24	178.4 (4)
Pt1—P1—C1—C2	−139.6 (3)	C22—C23—C24—C25	0.4 (9)
C10—P1—C1—C6	−85.6 (4)	C23—C24—C25—C26	−0.7 (9)
C16—P1—C1—C6	163.3 (4)	C23—C24—C25—C29A	177.7 (10)
Pt1—P1—C1—C6	42.5 (4)	C23—C24—C25—C29B	178.5 (10)
C6—C1—C2—C3	−1.9 (7)	C24—C25—C26—C27	0.9 (8)
P1—C1—C2—C3	−179.9 (4)	C29A—C25—C26—C27	−177.2 (11)
C1—C2—C3—C4	1.0 (8)	C29B—C25—C26—C27	−178.5 (8)
C2—C3—C4—C5	0.8 (9)	C23—C22—C27—C26	0.4 (7)
C2—C3—C4—C8A	−176.2 (7)	P2—C22—C27—C26	−178.2 (4)
C2—C3—C4—C8B	−179.9 (8)	C25—C26—C27—C22	−0.7 (8)
C3—C4—C5—C6	−1.5 (9)	C24—C25—C29A—C28A	120 (2)
C8A—C4—C5—C6	174.1 (10)	C26—C25—C29A—C28A	−62 (3)
C8B—C4—C5—C6	179.0 (7)	C29B—C25—C29A—C28A	−58 (4)
C4—C5—C6—C1	0.6 (9)	C24—C25—C29A—C30A	−130 (2)
C2—C1—C6—C5	1.2 (7)	C26—C25—C29A—C30A	48 (3)
P1—C1—C6—C5	179.2 (4)	C29B—C25—C29A—C30A	52 (4)
C5—C4—C8A—C7A	75 (2)	C24—C25—C29B—C28B	53 (2)
C3—C4—C8A—C7A	−109 (2)	C26—C25—C29B—C28B	−128 (2)
C8B—C4—C8A—C7A	65 (3)	C29A—C25—C29B—C28B	55 (4)
C5—C4—C8A—C9A	−45 (2)	C24—C25—C29B—C30B	−53 (2)
C3—C4—C8A—C9A	130.7 (19)	C26—C25—C29B—C30B	126.1 (19)
C8B—C4—C8A—C9A	−56 (2)	C29A—C25—C29B—C30B	−51 (4)
C5—C4—C8B—C7B	138.5 (17)	C22—P2—C31—C36	−72.3 (4)
C3—C4—C8B—C7B	−41 (2)	C37—P2—C31—C36	178.3 (3)
C8A—C4—C8B—C7B	−49 (2)	Pt1—P2—C31—C36	53.7 (3)
C5—C4—C8B—C9B	−126.5 (18)	C22—P2—C31—C32	164.8 (4)
C3—C4—C8B—C9B	54 (2)	C37—P2—C31—C32	55.4 (4)
C8A—C4—C8B—C9B	46 (2)	Pt1—P2—C31—C32	−69.2 (4)
C1—P1—C10—C11	−55.2 (3)	C36—C31—C32—C33	55.3 (6)
C16—P1—C10—C11	56.4 (3)	P2—C31—C32—C33	178.5 (4)
Pt1—P1—C10—C11	177.3 (2)	C31—C32—C33—C34	−57.2 (7)
C1—P1—C10—C15	70.6 (3)	C32—C33—C34—C35	56.9 (7)
C16—P1—C10—C15	−177.8 (3)	C33—C34—C35—C36	−55.7 (7)
Pt1—P1—C10—C15	−56.9 (3)	C32—C31—C36—C35	−54.3 (6)
C15—C10—C11—C12	55.4 (5)	P2—C31—C36—C35	−177.6 (4)
P1—C10—C11—C12	−178.2 (3)	C34—C35—C36—C31	55.4 (7)
C10—C11—C12—C13	−55.6 (5)	C22—P2—C37—C42	71.8 (4)
C11—C12—C13—C14	54.8 (6)	C31—P2—C37—C42	−177.0 (3)
C12—C13—C14—C15	−55.3 (6)	Pt1—P2—C37—C42	−56.1 (4)
C13—C14—C15—C10	55.7 (6)	C22—P2—C37—C38	−54.7 (4)
C11—C10—C15—C14	−55.3 (5)	C31—P2—C37—C38	56.6 (4)
P1—C10—C15—C14	177.3 (4)	Pt1—P2—C37—C38	177.5 (3)
C1—P1—C16—C21	164.2 (3)	C42—C37—C38—C39	54.9 (5)
C10—P1—C16—C21	54.5 (4)	P2—C37—C38—C39	−178.2 (3)
Pt1—P1—C16—C21	−71.0 (3)	C37—C38—C39—C40	−54.7 (6)
C1—P1—C16—C17	−72.5 (3)	C38—C39—C40—C41	55.2 (6)
C10—P1—C16—C17	177.8 (3)	C39—C40—C41—C42	−55.7 (7)
Pt1—P1—C16—C17	52.3 (3)	C38—C37—C42—C41	−55.9 (6)
C21—C16—C17—C18	−53.6 (5)	P2—C37—C42—C41	175.9 (4)
P1—C16—C17—C18	−178.3 (3)	C40—C41—C42—C37	56.4 (7)