[Bis(diphenyl­phosphino)methane-κ²P,P′][bis­(diphenyl­thio­phosphin­yl)methane-κ²S,S′]platinum(II) bis­(perchlorate) acetone solvate

The title complex, [Pt(C₂₅H₂₂P₂)(C₂₅H₂₂P₂S₂)](ClO₄)₂·C₃H₆O or [Pt(dppm)(dppmS₂)](ClO₄)₂·C₃H₆O, where dppmS₂ is bis­(diphenyl­thio­phosphin­yl)methane and dppm is bis­(di­phenyl­phosphino)methane, is the first example of a platinum(II) complex containing both dppm and dppmS₂ ligands. In the cation, the dppm ligand forms a non-planar four-membered chelate ring, while the dppmS₂ ligand forms a six-membered chelate ring with twist–boat conformation.

Key indicators

• Single-crystal X-ray study
• T = 297 K
• Mean [sigma](C-C) = 0.020 Å
• R factor = 0.076
• wR factor = 0.162
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.21 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.24 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pt1    -   S1      ..       5.85 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C3
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C9
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C15
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C39
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C40
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C7
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C19
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C38
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C51
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C7     -C12           1.37 Ang.
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C13    -C18           1.37 Ang.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         20
PLAT362_ALERT_2_C Short  C(sp3)-C(sp2) Bond  C51    -   C53    ...       1.39 Ang.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      31.00 A   3  

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  14 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
   3 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

[Bis(diphenylphosphino)methane-κ²P,P'][bis(diphenylthiophosphinyl)methane- κ²S,S']platinum(II) bis(perchlorate) acetone solvate

Crystal data

[Pt(C25H22P2)(C25H22P2S2)](ClO4)2·C3H6O	F(000) = 2576
Mr = 1284.92	Dx = 1.564 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 6151 reflections
a = 20.888 (2) Å	θ = 2.3–25.1°
b = 11.8633 (14) Å	µ = 2.92 mm^−1
c = 23.109 (3) Å	T = 297 K
β = 107.686 (2)°	Block, colourless
V = 5455.7 (11) Å^3	0.45 × 0.39 × 0.34 mm
Z = 4

Data collection

Bruker SMART CCD area-detector diffractometer	11149 independent reflections
Radiation source: fine-focus sealed tube	10211 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.051
φ and ω scans	θmax = 26.4°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −25→26
Tmin = 0.300, Tmax = 0.371	k = −14→14
42618 measured reflections	l = −28→28

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)] = 0.076	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.162	H-atom parameters constrained
S = 1.26	w = 1/[σ^2(Fo^2) + (0.0387P)^2 + 42.6288P] where P = (Fo^2 + 2Fc^2)/3
11149 reflections	(Δ/σ)max = 0.002
642 parameters	Δρmax = 2.95 e Å^−3
0 restraints	Δρmin = −2.96 e Å^−3

Special details

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

Refinement. 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
C53	0.850 (2)	0.613 (3)	0.8683 (17)	0.35 (3)
H53A	0.8622	0.6368	0.8332	0.520*
H53B	0.8170	0.6621	0.8747	0.520*
H53C	0.8330	0.5371	0.8620	0.520*
O9	0.9194 (17)	0.536 (2)	0.9528 (13)	0.319 (16)
C52	0.9574 (12)	0.707 (2)	0.9393 (15)	0.217 (14)
H52A	0.9347	0.7759	0.9421	0.326*
H52B	0.9820	0.7153	0.9106	0.326*
H52C	0.9878	0.6880	0.9784	0.326*
C51	0.9070 (15)	0.6148 (18)	0.9187 (14)	0.142 (9)
Pt1	0.731428 (15)	0.88090 (3)	1.026168 (14)	0.03473 (11)
P3	0.81871 (11)	1.0211 (2)	0.93718 (10)	0.0379 (5)
S1	0.81357 (11)	0.8675 (2)	0.97336 (11)	0.0444 (5)
P4	0.66342 (11)	1.0094 (2)	0.88809 (10)	0.0388 (5)
P1	0.67107 (11)	0.8588 (2)	1.09120 (10)	0.0426 (5)
S2	0.66601 (11)	1.0388 (2)	0.97500 (10)	0.0425 (5)
P2	0.77353 (11)	0.7300 (2)	1.08515 (10)	0.0398 (5)
C38	0.5981 (4)	1.0949 (8)	0.8378 (4)	0.045 (2)
C25	0.7416 (4)	1.0533 (8)	0.8754 (4)	0.0377 (19)
H25A	0.7397	1.1341	0.8685	0.045*
H25B	0.7446	1.0174	0.8386	0.045*
C44	0.6446 (4)	0.8645 (8)	0.8658 (4)	0.043 (2)
C13	0.7393 (4)	0.5974 (8)	1.0507 (4)	0.047 (2)
C26	0.8366 (4)	1.1330 (8)	0.9925 (4)	0.044 (2)
C32	0.8857 (4)	1.0160 (8)	0.9026 (4)	0.042 (2)
C7	0.6538 (5)	0.9805 (9)	1.1313 (4)	0.050 (2)
C31	0.8461 (4)	1.1130 (9)	1.0539 (4)	0.052 (2)
H31	0.8413	1.0406	1.0674	0.062*
C19	0.8638 (4)	0.7068 (8)	1.1167 (4)	0.045 (2)
C33	0.9480 (5)	1.0623 (10)	0.9317 (5)	0.056 (3)
H33	0.9551	1.0996	0.9686	0.067*
C18	0.7208 (5)	0.5826 (10)	0.9896 (5)	0.061 (3)
H18	0.7227	0.6433	0.9647	0.074*
C50	0.7332 (5)	0.7653 (9)	1.1433 (4)	0.049 (2)
H50A	0.7628	0.8047	1.1779	0.059*
H50B	0.7129	0.7007	1.1566	0.059*
C24	0.9008 (5)	0.7565 (12)	1.1699 (5)	0.070 (3)
H24	0.8802	0.8020	1.1918	0.084*
C27	0.8452 (5)	1.2421 (9)	0.9735 (5)	0.060 (3)
H27	0.8389	1.2573	0.9326	0.072*
C12	0.6919 (6)	1.0758 (10)	1.1366 (5)	0.064 (3)
H12	0.7270	1.0784	1.1197	0.076*
C47	0.6045 (7)	0.6452 (11)	0.8303 (6)	0.076 (4)
H47	0.5915	0.5714	0.8192	0.092*
C14	0.7352 (6)	0.5068 (10)	1.0863 (6)	0.070 (3)
H14	0.7463	0.5151	1.1282	0.083*
C37	0.8759 (5)	0.9597 (12)	0.8480 (5)	0.070 (3)
H37	0.8344	0.9275	0.8284	0.084*
C49	0.6772 (6)	0.8020 (10)	0.8320 (5)	0.067 (3)
H49	0.7131	0.8335	0.8218	0.081*
C30	0.8629 (6)	1.2016 (11)	1.0947 (5)	0.069 (3)
H30	0.8680	1.1879	1.1355	0.082*
C34	0.9999 (5)	1.0534 (11)	0.9063 (6)	0.070 (3)
H34	1.0419	1.0836	0.9261	0.084*
C2	0.5811 (5)	0.6780 (11)	1.0761 (6)	0.072 (3)
H2	0.6146	0.6406	1.1057	0.086*
C1	0.5911 (5)	0.7860 (10)	1.0597 (4)	0.053 (3)
C3	0.5196 (8)	0.6242 (14)	1.0475 (9)	0.108 (6)
H3	0.5124	0.5511	1.0586	0.129*
C45	0.5931 (6)	0.8146 (10)	0.8809 (5)	0.067 (3)
H45	0.5710	0.8542	0.9040	0.080*
C48	0.6566 (7)	0.6934 (12)	0.8137 (6)	0.086 (4)
H48	0.6776	0.6529	0.7902	0.103*
C8	0.6017 (6)	0.9807 (13)	1.1554 (6)	0.091 (5)
H8	0.5748	0.9169	1.1508	0.109*
C6	0.5409 (5)	0.8423 (12)	1.0162 (5)	0.072 (3)
H6	0.5476	0.9160	1.0055	0.086*
C16	0.6980 (7)	0.3911 (11)	1.0002 (9)	0.087 (4)
H16	0.6853	0.3203	0.9834	0.105*
C20	0.8954 (6)	0.6421 (10)	1.0837 (6)	0.076 (4)
H20	0.8706	0.6093	1.0473	0.091*
C42	0.5247 (7)	1.2557 (12)	0.8180 (6)	0.083 (4)
H42	0.5079	1.3188	0.8323	0.099*
C17	0.6990 (7)	0.4774 (13)	0.9633 (6)	0.085 (4)
H17	0.6855	0.4679	0.9214	0.101*
C21	0.9644 (7)	0.6265 (13)	1.1055 (8)	0.098 (5)
H21	0.9858	0.5837	1.0832	0.118*
C35	0.9886 (6)	0.9996 (11)	0.8515 (6)	0.074 (3)
H35	1.0229	0.9957	0.8336	0.089*
C41	0.5008 (7)	1.2251 (14)	0.7586 (7)	0.090 (4)
H41	0.4672	1.2679	0.7321	0.108*
C28	0.8632 (7)	1.3275 (11)	1.0162 (7)	0.084 (4)
H28	0.8694	1.4001	1.0037	0.101*
C15	0.7146 (8)	0.4032 (12)	1.0599 (9)	0.101 (5)
H15	0.7123	0.3417	1.0841	0.121*
C22	1.0015 (7)	0.6732 (14)	1.1595 (9)	0.099 (5)
H22	1.0475	0.6603	1.1742	0.119*
C43	0.5750 (6)	1.1897 (10)	0.8568 (5)	0.067 (3)
H43	0.5933	1.2120	0.8970	0.081*
C39	0.5743 (8)	1.0643 (14)	0.7766 (6)	0.106 (6)
H39	0.5904	1.0003	0.7624	0.128*
C29	0.8720 (6)	1.3074 (12)	1.0770 (6)	0.080 (4)
H29	0.8841	1.3655	1.1052	0.096*
C11	0.6780 (8)	1.1688 (12)	1.1670 (6)	0.087 (4)
H11A	0.7049	1.2326	1.1719	0.104*
C10	0.6265 (8)	1.1673 (15)	1.1894 (7)	0.100 (5)
H10	0.6163	1.2319	1.2077	0.120*
C46	0.5730 (7)	0.7052 (11)	0.8624 (6)	0.083 (4)
H46	0.5371	0.6733	0.8725	0.099*
C36	0.9275 (6)	0.9515 (12)	0.8227 (5)	0.076 (4)
H36	0.9209	0.9135	0.7862	0.092*
C23	0.9711 (7)	0.7374 (16)	1.1909 (6)	0.098 (5)
H23	0.9966	0.7701	1.2272	0.117*
C40	0.5253 (9)	1.1325 (15)	0.7371 (7)	0.122 (7)
H40	0.5095	1.1146	0.6960	0.146*
C9	0.5876 (8)	1.0718 (16)	1.1862 (8)	0.115 (6)
H9A	0.5533	1.0693	1.2042	0.138*
C5	0.4797 (6)	0.7873 (17)	0.9882 (7)	0.102 (5)
H5	0.4455	0.8248	0.9593	0.122*
C4	0.4706 (7)	0.6782 (18)	1.0038 (9)	0.111 (7)
H4	0.4307	0.6409	0.9844	0.133*
Cl2	0.86325 (17)	0.0188 (3)	0.26322 (17)	0.0804 (9)
Cl1	0.7479 (3)	0.8395 (4)	0.70044 (18)	0.1089 (14)
O4	0.7398 (8)	0.9406 (10)	0.7309 (5)	0.147 (5)
O6	0.8517 (7)	0.1317 (11)	0.2704 (7)	0.144 (5)
O1	0.6850 (7)	0.7891 (15)	0.6765 (6)	0.163 (6)
O2	0.7888 (9)	0.7626 (12)	0.7482 (7)	0.174 (7)
O5	0.8144 (7)	−0.0497 (16)	0.2701 (8)	0.187 (7)
O3	0.7769 (9)	0.8518 (15)	0.6576 (7)	0.185 (7)
O8	0.9270 (7)	−0.0120 (13)	0.2919 (10)	0.222 (10)
O7	0.8506 (10)	0.0039 (15)	0.1993 (7)	0.190 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C53	0.34 (5)	0.29 (5)	0.25 (4)	0.01 (4)	−0.14 (4)	−0.06 (4)
O9	0.43 (4)	0.20 (2)	0.29 (3)	−0.03 (3)	0.05 (3)	0.04 (2)
C52	0.13 (2)	0.18 (3)	0.35 (4)	−0.003 (19)	0.07 (2)	0.03 (3)
C51	0.20 (3)	0.082 (13)	0.18 (2)	0.015 (15)	0.11 (2)	0.014 (14)
Pt1	0.03087 (17)	0.04301 (19)	0.03029 (16)	0.00077 (14)	0.00926 (12)	0.00002 (14)
P3	0.0330 (11)	0.0478 (13)	0.0316 (10)	−0.0018 (9)	0.0078 (9)	0.0007 (10)
S1	0.0373 (11)	0.0474 (13)	0.0508 (13)	0.0034 (9)	0.0168 (10)	0.0051 (11)
P4	0.0310 (11)	0.0494 (13)	0.0322 (11)	0.0030 (9)	0.0040 (9)	0.0013 (10)
P1	0.0362 (11)	0.0572 (15)	0.0368 (11)	−0.0027 (10)	0.0148 (9)	−0.0058 (10)
S2	0.0404 (12)	0.0502 (13)	0.0361 (11)	0.0080 (10)	0.0106 (9)	−0.0022 (10)
P2	0.0357 (11)	0.0481 (13)	0.0358 (11)	−0.0007 (10)	0.0112 (9)	0.0025 (10)
C38	0.034 (4)	0.056 (6)	0.039 (5)	0.005 (4)	0.004 (4)	0.006 (4)
C25	0.031 (4)	0.054 (5)	0.030 (4)	0.001 (4)	0.010 (3)	0.004 (4)
C44	0.040 (5)	0.050 (5)	0.034 (4)	0.002 (4)	0.002 (4)	−0.003 (4)
C13	0.039 (5)	0.047 (5)	0.052 (5)	−0.001 (4)	0.010 (4)	0.002 (4)
C26	0.032 (4)	0.052 (5)	0.044 (5)	0.006 (4)	0.007 (4)	0.003 (4)
C32	0.034 (4)	0.059 (6)	0.038 (4)	0.000 (4)	0.019 (4)	0.007 (4)
C7	0.048 (5)	0.062 (6)	0.042 (5)	0.003 (5)	0.020 (4)	−0.007 (5)
C31	0.035 (5)	0.070 (7)	0.044 (5)	−0.005 (5)	0.004 (4)	−0.002 (5)
C19	0.036 (5)	0.052 (5)	0.045 (5)	0.007 (4)	0.010 (4)	0.016 (4)
C33	0.041 (5)	0.076 (7)	0.049 (5)	−0.005 (5)	0.012 (4)	0.004 (5)
C18	0.057 (6)	0.063 (7)	0.063 (7)	−0.007 (5)	0.016 (5)	−0.012 (6)
C50	0.046 (5)	0.070 (6)	0.034 (4)	0.002 (5)	0.017 (4)	0.001 (4)
C24	0.051 (6)	0.107 (10)	0.049 (6)	−0.016 (6)	0.013 (5)	0.000 (6)
C27	0.064 (7)	0.057 (6)	0.051 (6)	0.004 (5)	0.006 (5)	0.000 (5)
C12	0.073 (7)	0.076 (7)	0.053 (6)	−0.016 (6)	0.035 (6)	−0.020 (6)
C47	0.091 (9)	0.058 (7)	0.060 (7)	−0.008 (7)	−0.006 (7)	−0.014 (6)
C14	0.065 (7)	0.071 (8)	0.076 (8)	−0.008 (6)	0.027 (6)	0.008 (6)
C37	0.047 (6)	0.109 (10)	0.059 (7)	−0.010 (6)	0.022 (5)	−0.020 (7)
C49	0.062 (7)	0.075 (8)	0.065 (7)	0.001 (6)	0.020 (6)	−0.026 (6)
C30	0.058 (7)	0.080 (9)	0.055 (6)	0.003 (6)	−0.002 (5)	−0.016 (6)
C34	0.042 (6)	0.093 (9)	0.082 (8)	−0.006 (6)	0.029 (6)	0.007 (7)
C2	0.043 (6)	0.090 (9)	0.086 (8)	−0.010 (6)	0.028 (6)	−0.020 (7)
C1	0.041 (5)	0.074 (7)	0.052 (6)	−0.012 (5)	0.024 (5)	−0.023 (5)
C3	0.088 (11)	0.099 (12)	0.143 (15)	−0.048 (10)	0.046 (11)	−0.048 (11)
C45	0.065 (7)	0.071 (8)	0.071 (7)	−0.007 (6)	0.032 (6)	−0.018 (6)
C48	0.096 (10)	0.079 (9)	0.075 (9)	0.002 (8)	0.013 (8)	−0.034 (7)
C8	0.073 (8)	0.119 (12)	0.101 (10)	−0.028 (8)	0.058 (8)	−0.057 (9)
C6	0.036 (5)	0.106 (10)	0.073 (8)	0.000 (6)	0.017 (5)	−0.007 (7)
C16	0.067 (8)	0.047 (7)	0.139 (14)	0.003 (6)	0.019 (9)	−0.007 (9)
C20	0.045 (6)	0.077 (8)	0.097 (9)	0.012 (6)	0.008 (6)	−0.012 (7)
C42	0.079 (9)	0.079 (9)	0.080 (9)	0.027 (7)	0.009 (7)	0.022 (7)
C17	0.082 (9)	0.088 (10)	0.073 (8)	−0.001 (8)	0.008 (7)	−0.026 (8)
C21	0.060 (8)	0.092 (11)	0.140 (14)	0.023 (7)	0.025 (9)	0.002 (10)
C35	0.063 (7)	0.091 (9)	0.083 (9)	0.017 (7)	0.046 (7)	0.017 (7)
C41	0.072 (8)	0.104 (11)	0.077 (9)	0.014 (8)	0.000 (7)	0.037 (8)
C28	0.087 (9)	0.056 (7)	0.096 (10)	0.001 (7)	0.008 (8)	−0.007 (7)
C15	0.091 (11)	0.057 (8)	0.136 (15)	−0.017 (7)	0.007 (10)	0.011 (9)
C22	0.052 (8)	0.102 (12)	0.126 (14)	0.002 (8)	0.002 (9)	0.047 (11)
C43	0.065 (7)	0.074 (8)	0.055 (6)	0.017 (6)	0.005 (5)	−0.001 (6)
C39	0.129 (13)	0.106 (11)	0.051 (7)	0.036 (10)	−0.023 (8)	−0.005 (7)
C29	0.076 (8)	0.081 (9)	0.072 (8)	0.000 (7)	0.008 (7)	−0.029 (7)
C11	0.124 (12)	0.073 (9)	0.066 (8)	−0.019 (8)	0.032 (8)	−0.016 (7)
C10	0.106 (12)	0.111 (13)	0.087 (10)	0.019 (10)	0.035 (9)	−0.036 (9)
C46	0.093 (10)	0.075 (9)	0.081 (9)	−0.038 (7)	0.027 (8)	−0.019 (7)
C36	0.073 (8)	0.106 (10)	0.060 (7)	−0.002 (7)	0.036 (6)	−0.006 (7)
C23	0.062 (8)	0.142 (15)	0.064 (8)	−0.033 (9)	−0.017 (7)	0.021 (9)
C40	0.135 (15)	0.124 (14)	0.064 (9)	0.040 (12)	−0.034 (9)	−0.004 (9)
C9	0.106 (12)	0.132 (14)	0.140 (15)	−0.024 (11)	0.089 (12)	−0.060 (12)
C5	0.041 (7)	0.156 (16)	0.094 (11)	−0.001 (9)	−0.001 (7)	−0.042 (11)
C4	0.042 (7)	0.153 (17)	0.142 (15)	−0.035 (9)	0.033 (9)	−0.075 (14)
Cl2	0.073 (2)	0.080 (2)	0.097 (2)	−0.0154 (16)	0.0382 (18)	−0.0297 (19)
Cl1	0.149 (4)	0.105 (3)	0.068 (2)	−0.008 (3)	0.027 (2)	−0.030 (2)
O4	0.214 (14)	0.098 (8)	0.097 (8)	0.032 (9)	0.002 (9)	−0.021 (7)
O6	0.129 (10)	0.115 (10)	0.169 (12)	0.017 (8)	0.017 (9)	−0.059 (9)
O1	0.142 (11)	0.237 (17)	0.100 (9)	−0.051 (12)	0.020 (8)	−0.059 (10)
O2	0.242 (18)	0.129 (11)	0.130 (11)	0.074 (12)	0.023 (11)	0.023 (9)
O5	0.112 (10)	0.227 (18)	0.225 (17)	−0.030 (11)	0.056 (11)	0.084 (14)
O3	0.235 (18)	0.225 (18)	0.127 (11)	−0.062 (14)	0.100 (12)	0.006 (11)
O8	0.095 (9)	0.133 (12)	0.35 (2)	0.021 (9)	−0.067 (12)	−0.064 (14)
O7	0.250 (19)	0.183 (15)	0.150 (13)	0.064 (14)	0.081 (13)	−0.026 (11)

Geometric parameters (Å, º)

C53—C51	1.38 (4)	C37—H37	0.9300
C53—H53A	0.9600	C49—C48	1.384 (17)
C53—H53B	0.9600	C49—H49	0.9300
C53—H53C	0.9600	C30—C29	1.352 (18)
O9—C51	1.20 (3)	C30—H30	0.9300
C52—C51	1.49 (3)	C34—C35	1.372 (17)
C52—H52A	0.9600	C34—H34	0.9300
C52—H52B	0.9600	C2—C1	1.371 (17)
C52—H52C	0.9600	C2—C3	1.406 (17)
Pt1—P1	2.251 (2)	C2—H2	0.9300
Pt1—P2	2.260 (2)	C1—C6	1.385 (16)
Pt1—S1	2.394 (2)	C3—C4	1.36 (2)
Pt1—S2	2.407 (2)	C3—H3	0.9300
P3—C26	1.802 (10)	C45—C46	1.391 (16)
P3—C32	1.811 (8)	C45—H45	0.9300
P3—C25	1.839 (8)	C48—H48	0.9300
P3—S1	2.021 (3)	C8—C9	1.374 (19)
P4—C44	1.803 (9)	C8—H8	0.9300
P4—C38	1.810 (9)	C6—C5	1.405 (17)
P4—C25	1.822 (8)	C6—H6	0.9300
P4—S2	2.023 (3)	C16—C15	1.32 (2)
P1—C7	1.810 (10)	C16—C17	1.336 (19)
P1—C1	1.823 (10)	C16—H16	0.9300
P1—C50	1.848 (10)	C20—C21	1.389 (17)
P1—P2	2.668 (3)	C20—H20	0.9300
P2—C13	1.810 (10)	C42—C41	1.359 (19)
P2—C19	1.824 (9)	C42—C43	1.396 (15)
P2—C50	1.839 (9)	C42—H42	0.9300
C38—C43	1.348 (14)	C17—H17	0.9300
C38—C39	1.397 (15)	C21—C22	1.37 (2)
C25—H25A	0.9700	C21—H21	0.9300
C25—H25B	0.9700	C35—C36	1.371 (17)
C44—C45	1.366 (14)	C35—H35	0.9300
C44—C49	1.395 (13)	C41—C40	1.37 (2)
C13—C18	1.356 (14)	C41—H41	0.9300
C13—C14	1.373 (15)	C28—C29	1.380 (18)
C26—C31	1.393 (13)	C28—H28	0.9300
C26—C27	1.396 (14)	C15—H15	0.9300
C32—C33	1.385 (13)	C22—C23	1.34 (2)
C32—C37	1.387 (14)	C22—H22	0.9300
C7—C8	1.366 (14)	C43—H43	0.9300
C7—C12	1.367 (14)	C39—C40	1.402 (19)
C31—C30	1.384 (15)	C39—H39	0.9300
C31—H31	0.9300	C29—H29	0.9300
C19—C24	1.371 (14)	C11—C10	1.33 (2)
C19—C20	1.381 (15)	C11—H11A	0.9300
C33—C34	1.385 (14)	C10—C9	1.38 (2)
C33—H33	0.9300	C10—H10	0.9300
C18—C17	1.403 (17)	C46—H46	0.9300
C18—H18	0.9300	C36—H36	0.9300
C50—H50A	0.9700	C23—H23	0.9300
C50—H50B	0.9700	C40—H40	0.9300
C24—C23	1.417 (18)	C9—H9A	0.9300
C24—H24	0.9300	C5—C4	1.37 (2)
C27—C28	1.385 (16)	C5—H5	0.9300
C27—H27	0.9300	C4—H4	0.9300
C12—C11	1.386 (17)	Cl2—O8	1.345 (12)
C12—H12	0.9300	Cl2—O5	1.351 (13)
C47—C46	1.337 (18)	Cl2—O6	1.379 (12)
C47—C48	1.383 (19)	Cl2—O7	1.430 (15)
C47—H47	0.9300	Cl1—O3	1.316 (14)
C14—C15	1.381 (18)	Cl1—O1	1.397 (14)
C14—H14	0.9300	Cl1—O4	1.427 (12)
C37—C36	1.376 (15)	Cl1—O2	1.485 (13)
C51—C53—H53A	109.5	C36—C37—H37	119.9
C51—C53—H53B	109.5	C32—C37—H37	119.9
H53A—C53—H53B	109.5	C48—C49—C44	120.4 (12)
C51—C53—H53C	109.5	C48—C49—H49	119.8
H53A—C53—H53C	109.5	C44—C49—H49	119.8
H53B—C53—H53C	109.5	C29—C30—C31	121.9 (12)
C51—C52—H52A	109.5	C29—C30—H30	119.0
C51—C52—H52B	109.5	C31—C30—H30	119.0
H52A—C52—H52B	109.5	C35—C34—C33	119.3 (11)
C51—C52—H52C	109.5	C35—C34—H34	120.3
H52A—C52—H52C	109.5	C33—C34—H34	120.3
H52B—C52—H52C	109.5	C1—C2—C3	119.3 (14)
O9—C51—C53	120 (3)	C1—C2—H2	120.4
O9—C51—C52	112 (3)	C3—C2—H2	120.4
C53—C51—C52	128 (3)	C2—C1—C6	120.4 (10)
P1—Pt1—P2	72.51 (9)	C2—C1—P1	122.1 (9)
P1—Pt1—S1	165.03 (8)	C6—C1—P1	117.5 (9)
P2—Pt1—S1	92.69 (8)	C4—C3—C2	120.6 (16)
P1—Pt1—S2	93.96 (8)	C4—C3—H3	119.7
P2—Pt1—S2	166.33 (8)	C2—C3—H3	119.7
S1—Pt1—S2	100.90 (8)	C44—C45—C46	120.9 (11)
C26—P3—C32	108.4 (4)	C44—C45—H45	119.5
C26—P3—C25	110.0 (4)	C46—C45—H45	119.5
C32—P3—C25	106.0 (4)	C47—C48—C49	119.9 (12)
C26—P3—S1	113.4 (3)	C47—C48—H48	120.0
C32—P3—S1	107.3 (3)	C49—C48—H48	120.0
C25—P3—S1	111.4 (3)	C7—C8—C9	122.4 (13)
P3—S1—Pt1	106.70 (11)	C7—C8—H8	118.8
C44—P4—C38	107.1 (4)	C9—C8—H8	118.8
C44—P4—C25	110.8 (4)	C1—C6—C5	119.5 (14)
C38—P4—C25	105.9 (4)	C1—C6—H6	120.2
C44—P4—S2	112.7 (3)	C5—C6—H6	120.2
C38—P4—S2	109.1 (3)	C15—C16—C17	122.2 (14)
C25—P4—S2	110.9 (3)	C15—C16—H16	118.9
C7—P1—C1	106.4 (5)	C17—C16—H16	118.9
C7—P1—C50	110.8 (4)	C19—C20—C21	119.5 (13)
C1—P1—C50	110.6 (5)	C19—C20—H20	120.3
C7—P1—Pt1	119.2 (3)	C21—C20—H20	120.3
C1—P1—Pt1	114.8 (3)	C41—C42—C43	118.2 (13)
C50—P1—Pt1	94.6 (3)	C41—C42—H42	120.9
C7—P1—P2	140.5 (3)	C43—C42—H42	120.9
C1—P1—P2	111.1 (3)	C16—C17—C18	118.1 (13)
Pt1—P1—P2	53.89 (7)	C16—C17—H17	120.9
P4—S2—Pt1	101.13 (11)	C18—C17—H17	120.9
C13—P2—C19	105.5 (4)	C22—C21—C20	120.9 (15)
C13—P2—C50	108.2 (5)	C22—C21—H21	119.5
C19—P2—C50	113.0 (4)	C20—C21—H21	119.5
C13—P2—Pt1	113.2 (3)	C36—C35—C34	121.0 (10)
C19—P2—Pt1	121.7 (3)	C36—C35—H35	119.5
C50—P2—Pt1	94.6 (3)	C34—C35—H35	119.5
C13—P2—P1	107.8 (3)	C42—C41—C40	121.2 (12)
C19—P2—P1	144.5 (3)	C42—C41—H41	119.4
Pt1—P2—P1	53.59 (7)	C40—C41—H41	119.4
C43—C38—C39	119.5 (10)	C29—C28—C27	121.5 (13)
C43—C38—P4	122.2 (8)	C29—C28—H28	119.2
C39—C38—P4	118.1 (9)	C27—C28—H28	119.2
P4—C25—P3	115.6 (4)	C16—C15—C14	120.4 (15)
P4—C25—H25A	108.4	C16—C15—H15	119.8
P3—C25—H25A	108.4	C14—C15—H15	119.8
P4—C25—H25B	108.4	C23—C22—C21	119.6 (14)
P3—C25—H25B	108.4	C23—C22—H22	120.2
H25A—C25—H25B	107.5	C21—C22—H22	120.2
C45—C44—C49	118.0 (10)	C38—C43—C42	122.2 (11)
C45—C44—P4	117.4 (8)	C38—C43—H43	118.9
C49—C44—P4	124.5 (8)	C42—C43—H43	118.9
C18—C13—C14	118.3 (10)	C38—C39—C40	118.3 (14)
C18—C13—P2	121.3 (8)	C38—C39—H39	120.8
C14—C13—P2	120.3 (8)	C40—C39—H39	120.8
C31—C26—C27	119.2 (9)	C30—C29—C28	118.8 (12)
C31—C26—P3	122.1 (8)	C30—C29—H29	120.6
C27—C26—P3	118.6 (7)	C28—C29—H29	120.6
C33—C32—C37	119.4 (9)	C10—C11—C12	120.5 (14)
C33—C32—P3	120.7 (7)	C10—C11—H11A	119.7
C37—C32—P3	119.9 (7)	C12—C11—H11A	119.7
C8—C7—C12	118.5 (10)	C11—C10—C9	121.5 (14)
C8—C7—P1	121.2 (9)	C11—C10—H10	119.3
C12—C7—P1	120.3 (7)	C9—C10—H10	119.3
C30—C31—C26	119.5 (11)	C47—C46—C45	120.9 (13)
C30—C31—H31	120.2	C47—C46—H46	119.5
C26—C31—H31	120.2	C45—C46—H46	119.5
C24—C19—C20	119.9 (10)	C35—C36—C37	119.8 (12)
C24—C19—P2	121.8 (8)	C35—C36—H36	120.1
C20—C19—P2	118.2 (8)	C37—C36—H36	120.1
C32—C33—C34	120.3 (10)	C22—C23—C24	121.2 (14)
C32—C33—H33	119.9	C22—C23—H23	119.4
C34—C33—H33	119.9	C24—C23—H23	119.4
C13—C18—C17	121.2 (12)	C41—C40—C39	120.4 (14)
C13—C18—H18	119.4	C41—C40—H40	119.8
C17—C18—H18	119.4	C39—C40—H40	119.8
P2—C50—P1	92.7 (4)	C8—C9—C10	117.2 (13)
P2—C50—H50A	113.2	C8—C9—H9A	121.4
P1—C50—H50A	113.2	C10—C9—H9A	121.4
P2—C50—H50B	113.2	C4—C5—C6	119.8 (15)
P1—C50—H50B	113.2	C4—C5—H5	120.1
H50A—C50—H50B	110.5	C6—C5—H5	120.1
C19—C24—C23	118.8 (13)	C3—C4—C5	120.4 (14)
C19—C24—H24	120.6	C3—C4—H4	119.8
C23—C24—H24	120.6	C5—C4—H4	119.8
C28—C27—C26	119.1 (11)	O8—Cl2—O5	116.7 (11)
C28—C27—H27	120.5	O8—Cl2—O6	112.8 (9)
C26—C27—H27	120.5	O5—Cl2—O6	113.8 (11)
C7—C12—C11	119.8 (11)	O8—Cl2—O7	108.6 (12)
C7—C12—H12	120.1	O5—Cl2—O7	97.9 (11)
C11—C12—H12	120.1	O6—Cl2—O7	105.1 (10)
C46—C47—C48	119.7 (12)	O3—Cl1—O1	109.9 (10)
C46—C47—H47	120.1	O3—Cl1—O4	115.5 (11)
C48—C47—H47	120.1	O1—Cl1—O4	108.5 (10)
C13—C14—C15	119.9 (13)	O3—Cl1—O2	109.6 (12)
C13—C14—H14	120.1	O1—Cl1—O2	106.9 (11)
C15—C14—H14	120.1	O4—Cl1—O2	106.1 (8)
C36—C37—C32	120.2 (11)
C26—P3—S1—Pt1	55.5 (3)	C1—P1—C7—C12	−150.7 (9)
C32—P3—S1—Pt1	175.2 (3)	C50—P1—C7—C12	89.0 (10)
C25—P3—S1—Pt1	−69.2 (3)	Pt1—P1—C7—C12	−19.1 (10)
P1—Pt1—S1—P3	−150.1 (3)	P2—P1—C7—C12	48.4 (12)
P2—Pt1—S1—P3	−158.51 (12)	C27—C26—C31—C30	1.0 (14)
S2—Pt1—S1—P3	23.01 (13)	P3—C26—C31—C30	176.9 (8)
P2—Pt1—P1—C7	133.3 (4)	C13—P2—C19—C24	−144.6 (9)
S1—Pt1—P1—C7	124.5 (5)	C50—P2—C19—C24	−26.6 (10)
S2—Pt1—P1—C7	−48.7 (4)	Pt1—P2—C19—C24	84.7 (9)
P2—Pt1—P1—C1	−98.8 (4)	P1—P2—C19—C24	14.3 (12)
S1—Pt1—P1—C1	−107.7 (5)	C13—P2—C19—C20	38.9 (10)
S2—Pt1—P1—C1	79.1 (4)	C50—P2—C19—C20	156.9 (9)
P2—Pt1—P1—C50	16.4 (3)	Pt1—P2—C19—C20	−91.8 (9)
S1—Pt1—P1—C50	7.5 (5)	P1—P2—C19—C20	−162.2 (7)
S2—Pt1—P1—C50	−165.6 (3)	C37—C32—C33—C34	0.6 (17)
S1—Pt1—P1—P2	−8.9 (3)	P3—C32—C33—C34	177.0 (9)
S2—Pt1—P1—P2	177.97 (8)	C14—C13—C18—C17	−0.9 (16)
C44—P4—S2—Pt1	45.5 (3)	P2—C13—C18—C17	175.3 (9)
C38—P4—S2—Pt1	164.4 (3)	C13—P2—C50—P1	−97.0 (5)
C25—P4—S2—Pt1	−79.3 (3)	C19—P2—C50—P1	146.6 (4)
P1—Pt1—S2—P4	−142.61 (12)	Pt1—P2—C50—P1	19.3 (4)
P2—Pt1—S2—P4	−134.4 (3)	C7—P1—C50—P2	−143.0 (4)
S1—Pt1—S2—P4	39.18 (13)	C1—P1—C50—P2	99.3 (5)
P1—Pt1—P2—C13	95.5 (3)	Pt1—P1—C50—P2	−19.3 (4)
S1—Pt1—P2—C13	−86.8 (3)	C20—C19—C24—C23	−1.8 (17)
S2—Pt1—P2—C13	86.9 (5)	P2—C19—C24—C23	−178.2 (9)
P1—Pt1—P2—C19	−137.1 (4)	C31—C26—C27—C28	0.2 (15)
S1—Pt1—P2—C19	40.6 (4)	P3—C26—C27—C28	−175.9 (9)
S2—Pt1—P2—C19	−145.7 (5)	C8—C7—C12—C11	1.5 (18)
P1—Pt1—P2—C50	−16.5 (3)	P1—C7—C12—C11	179.6 (10)
S1—Pt1—P2—C50	161.2 (3)	C18—C13—C14—C15	1.9 (17)
S2—Pt1—P2—C50	−25.1 (5)	P2—C13—C14—C15	−174.3 (10)
S1—Pt1—P2—P1	177.72 (9)	C33—C32—C37—C36	−0.9 (18)
S2—Pt1—P2—P1	−8.6 (4)	P3—C32—C37—C36	−177.3 (10)
C7—P1—P2—C13	160.1 (6)	C45—C44—C49—C48	1.3 (17)
C1—P1—P2—C13	−0.2 (5)	P4—C44—C49—C48	−175.9 (9)
C50—P1—P2—C13	98.0 (6)	C26—C31—C30—C29	−1.7 (17)
Pt1—P1—P2—C13	−106.1 (3)	C32—C33—C34—C35	0.9 (18)
C7—P1—P2—C19	1.5 (8)	C3—C2—C1—C6	0.9 (17)
C1—P1—P2—C19	−158.8 (6)	C3—C2—C1—P1	−176.3 (10)
C50—P1—P2—C19	−60.6 (7)	C7—P1—C1—C2	−118.2 (9)
Pt1—P1—P2—C19	95.3 (5)	C50—P1—C1—C2	2.1 (10)
C7—P1—P2—C50	62.1 (7)	Pt1—P1—C1—C2	107.7 (8)
C1—P1—P2—C50	−98.2 (6)	P2—P1—C1—C2	48.8 (9)
Pt1—P1—P2—C50	155.9 (5)	C7—P1—C1—C6	64.4 (9)
C7—P1—P2—Pt1	−93.7 (5)	C50—P1—C1—C6	−175.2 (8)
C1—P1—P2—Pt1	106.0 (4)	Pt1—P1—C1—C6	−69.6 (9)
C50—P1—P2—Pt1	−155.9 (5)	P2—P1—C1—C6	−128.5 (8)
C44—P4—C38—C43	145.1 (9)	C1—C2—C3—C4	0 (2)
C25—P4—C38—C43	−96.7 (10)	C49—C44—C45—C46	−1.0 (17)
S2—P4—C38—C43	22.7 (10)	P4—C44—C45—C46	176.3 (10)
C44—P4—C38—C39	−38.9 (12)	C46—C47—C48—C49	2 (2)
C25—P4—C38—C39	79.4 (11)	C44—C49—C48—C47	−1.9 (19)
S2—P4—C38—C39	−161.3 (10)	C12—C7—C8—C9	−2 (2)
C44—P4—C25—P3	−85.5 (6)	P1—C7—C8—C9	179.8 (14)
C38—P4—C25—P3	158.7 (5)	C2—C1—C6—C5	−0.7 (17)
S2—P4—C25—P3	40.4 (6)	P1—C1—C6—C5	176.6 (9)
C26—P3—C25—P4	−86.7 (6)	C24—C19—C20—C21	1.1 (19)
C32—P3—C25—P4	156.2 (5)	P2—C19—C20—C21	177.6 (11)
S1—P3—C25—P4	39.8 (6)	C15—C16—C17—C18	3 (2)
C38—P4—C44—C45	−74.5 (9)	C13—C18—C17—C16	−1.3 (19)
C25—P4—C44—C45	170.5 (8)	C19—C20—C21—C22	1 (2)
S2—P4—C44—C45	45.6 (9)	C33—C34—C35—C36	−2 (2)
C38—P4—C44—C49	102.7 (9)	C43—C42—C41—C40	0 (2)
C25—P4—C44—C49	−12.4 (10)	C26—C27—C28—C29	−0.7 (19)
S2—P4—C44—C49	−137.2 (8)	C17—C16—C15—C14	−2 (2)
C19—P2—C13—C18	−103.3 (9)	C13—C14—C15—C16	−1 (2)
C50—P2—C13—C18	135.5 (9)	C20—C21—C22—C23	−2 (2)
Pt1—P2—C13—C18	32.1 (9)	C39—C38—C43—C42	4 (2)
P1—P2—C13—C18	89.4 (9)	P4—C38—C43—C42	−180.0 (10)
C19—P2—C13—C14	72.7 (9)	C41—C42—C43—C38	−3 (2)
C50—P2—C13—C14	−48.4 (10)	C43—C38—C39—C40	−2 (2)
Pt1—P2—C13—C14	−151.8 (8)	P4—C38—C39—C40	−177.9 (14)
P1—P2—C13—C14	−94.6 (9)	C31—C30—C29—C28	1.2 (19)
C32—P3—C26—C31	−118.7 (8)	C27—C28—C29—C30	0 (2)
C25—P3—C26—C31	125.8 (7)	C7—C12—C11—C10	−2 (2)
S1—P3—C26—C31	0.4 (8)	C12—C11—C10—C9	4 (3)
C32—P3—C26—C27	57.3 (8)	C48—C47—C46—C45	−2 (2)
C25—P3—C26—C27	−58.2 (9)	C44—C45—C46—C47	1 (2)
S1—P3—C26—C27	176.4 (7)	C34—C35—C36—C37	2 (2)
C26—P3—C32—C33	21.2 (9)	C32—C37—C36—C35	0 (2)
C25—P3—C32—C33	139.3 (8)	C21—C22—C23—C24	1 (2)
S1—P3—C32—C33	−101.6 (8)	C19—C24—C23—C22	1 (2)
C26—P3—C32—C37	−162.4 (9)	C42—C41—C40—C39	2 (3)
C25—P3—C32—C37	−44.3 (10)	C38—C39—C40—C41	−1 (3)
S1—P3—C32—C37	74.8 (9)	C7—C8—C9—C10	3 (3)
C1—P1—C7—C8	27.3 (12)	C11—C10—C9—C8	−4 (3)
C50—P1—C7—C8	−92.9 (11)	C1—C6—C5—C4	−1 (2)
Pt1—P1—C7—C8	159.0 (10)	C2—C3—C4—C5	−2 (3)
P2—P1—C7—C8	−133.5 (9)	C6—C5—C4—C3	2 (2)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C17—H17···O3^i	0.93	2.59	3.34 (2)	137
C24—H24···O7^ii	0.93	2.49	3.26 (2)	140
C27—H27···O1^iii	0.93	2.45	3.376 (17)	176
C28—H28···O9^iv	0.93	2.41	3.27 (3)	153
C37—H37···O4	0.93	2.51	3.284 (18)	141
C43—H43···S2	0.93	2.85	3.335 (12)	114
C50—H50B···O6^iii	0.97	2.59	3.433 (18)	145
C53—H53A···O2	0.96	2.57	3.21 (4)	124
C53—H53C···O4^i	0.96	2.50	3.22 (4)	131

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