trans-Di­chloro­bis­(tri­phenyl­phosphine-P)­platinum(II)

Two different crystals (A and B) were used to structurally characterize trans-[PtCl₂(PPh₃)₂] and to study random and systematic errors in derived parameters. The compound is isomorphous with trans-[PdCl₂(PPh₃)₂] and with one of the polymorphs of trans-[PtMeCl(PPh₃)₂] reported previously. Half-normal probability plot analyses based on A and B show realistic s.u.'s and negligible systematic errors. R.m.s. calculations give very good agreement between A and B, 0.0088 Å. Important geometrical parameters are Pt-P = 2.3163 (11) Å, Pt-Cl = 2.2997 (11) Å, P-Pt-Cl = 87.88 (4) and 92.12 (4)°. Half-normal probability plots and r.m.s. calculations were also used to compare the title compound with the palladium analogue, showing small systematic differences between the compounds. The torsion angles around the Pt-P bond were found to be very similar to those reported for isomorphous complexes, as well as to the torsion angles around the Pt-As bond in trans-[PtCl₂(AsPh₃)₂]. The NMR coupling constants for the title compound are similar to Pt-P coupling constants reported for analogous trans complexes.

S1. Comment

Transition metal complexes containing phosphine, arsine and stibine ligands are widely being investigated in various fields of organometallic chemistry (Spessard & Miessler, 1996). Since the structure of both cis-[PtCl₂(PPh₃)₂] (Anderson et al., 1982) and cis-[PtCl₂(SbPh₃)₂] (Wendt et al., 1998) are known we decided to investigate systematically the dichloroplatinum complexes containing ligands with group 15 donor atoms. Crystallographic studies on cis- and trans-[PtCl₂(AsPh₃)₂] (Johansson & Otto, 2000; Johansson et al., 2000) were recently completed and here we report the structure of the trans-[PtCl₂(PPh₃)₂], (I). All attempts to synthesize trans-[PtCl₂(SbPh₃)₂] have been unsuccessful so far.

[PtCl₂(L)₂] (L = tertiary phosphine, arsine or stibine) complexes can conveniently be prepared by the substitution of SMe₂ from [PtCl₂(SMe₂)₂]. When using PPh₃ or SbPh₃ the cis isomers were exclusively obtained. In the case of L = AsPh₃, however, the trans isomer was predominantly obtained, with the amount of cis isomer formed contributing less than 1% to the total yield.

Two different crystals were used in order to study random and systematic errors in derived quantities. Roughly the same θ_max, 31.7°, was reached in both data collections but the number of reflections are about 35% larger for B.

An r.m.s. calculation is one way to compare similar structures (Sheldrick, 1997). R.m.s. calculation on the structures from crystals A and B, gives a value of 0.0088 Å, indicating excellent agreement between the two structure determinations. Half-normal-probability plot analysis (Albertsson & Schultheiss, 1974) may be used to (i) investigate the reliability of the s.u.'s and (ii) identify systematic differences. For 21 non-H atoms (half the complex), 57 independent interatomic distances (3n-6) completely describe the complex. Crystals A and B show linearity with all the 57 distances (R = 0.99), with a slope of 0.976 ± 0.032 and an intercept −0.019 ± 0.032 (95% confidence interval), indicating realistic s.u.'s and negligible systematic errors. The larger completeness of the data set for crystal B (95.8 and 94.5% for A) does not influence the structure refinement.

Since there are no observable differences between the structures derived from crystal A and B only structure A will be discussed here. The title compound crystallizes on an inversion centre as square planar moieties with the bulky phosphine ligands in a trans orientation. The Pt—P bond length of 2.3163 (11) Å and the Pt—Cl bond length of 2.2997 (11) Å are within the normal range for bonds of this type. The complex exhibits a distorted square-planar geometry with P—Pt—Cl = 87.88 (4) and P—Pt—Clⁱ = 92.12 (4)° [symmetry code: (i) −x,-y,-z]. All three P—C bonds are equal in length [1.820 (2) Å] even though the C31—P—Pt angle [117.60 (11)°] deviate significantly from the other two angles [average 111.90 (11)°]. Similar observations are made for the Pd analogue (Ferguson et al., 1982) As generally observed, the average C—P—C angle 104.83 (15)° are smaller than for an ideal tetrahedral arrangement.

Comparison with the isomorphous palladium complex (Ferguson et al., 1982) has also been made both by r.m.s. calculations and half-normal probability plots. Low r.m.s. values are found with both crystal structures A and B, 0.0218 and 0.0216 Å respectively. The good correlation between A and the Pd complex is shown in the r.m.s. plot in Scheme 1.

Parts (a) and (c) of Scheme 2 show crystal structure A compared to the Pd complex using half-normal probability plot analysis. Part (b) of Scheme 2, based on independent distances, shows linearity up to 54 distances (R = 0.98), with a slope of 2.097 ± 0.088 and intercept −0.223 ± 0.076 (95% confidence interval). The negative intercept indicates that there are small systematic differences between the platinum and the palladium structures. A slope of 2 indicates that the underestimation of the s.u.'s is about 2. We have earlier stated that the s.u.'s are roughly correct estimated for the platinum complex and this indicates an underestimation of the s.u.'s in the palladium complex. The largest systematic differences between the two compounds (Scheme 2), which is based on dependent distances, are shown in Table 1. The largest differences are in the Pt/Pd—P and Pt/Pd—Cl bonds and in the angles around the metal and the P atoms.

In Table 2, torsion angles for the title compound are compared to those found for related structures in the literature. The title compound is isomorphous to one form of trans-[PtMeCl(PPh₃)₂] (Otto et al., 1994) of which two polymorphs are reported in the literature. The other polymorph of trans-[PtMeCl(PPh₃)₂] (Bardi & Piazzesi, 1981) is isomorphous to the analogous AsPh₃ complex (Otto et al., 1995). Although good agreement was found between the Cl—Pt—P—C torsion angles of the title compound and the isomorphous trans-[PtMeCl(PPh₃)₂] complex, small differences were found on all three angles ranging from 0.8 (3)–1.9 (3)°. Surprisingly it also shows very good agreement with two of the torsion angles in the trans-[PtCl₂(AsPh₃)₂] complex and only deviates by 2.99 (16)° on the third angle. The trans-[PtCl₂(AsPh₃)₂] complex was found to have almost identical torsion angles in four different solvated forms thereof (Johansson et al., 2000). R.m.s. calculation of the title compound and the corresponding AsPh₃ complex gives a value of 0.1988 indicating some differences between the structures. A superimposion of the two complexes, however, shows these differences to be mainly due to a slight twist in the phenyl rings (Scheme 3). The torsion angles of the other polymorph of trans-[PtMeCl(PPh₃)₂] is in fair agreement with the isomorphous trans-[PtMeCl(AsPh₃)₂] complex, but both differ significantly from the other compounds discussed.

In Table 3, the title compound is compared with some related complexes in terms of crystallographic parameters and first order Pt—P coupling constants (¹J_PtP). Multinuclear NMR spectroscopy can give valuable information to the coordination mode of NMR active elements, such as ³¹P and ¹⁹⁵Pt. It is well known that the first order M—P coupling constants enable quite good estimations of the M—P (M = NMR active transition metal) bond length for a specific system. In this sense, estimations of bond strength and the trans influence of the ligand under investigation can be obtained (Steyn et al., 1997). Major differences in the Pt—P [0.058 (2) Å shorter trans to Cl] and Pt—Cl [0.045 (2) Å longer trans to PPh₃] bond distances were observed between the cis- and trans-[PtCl₂(PPh₃)₂] isomers. This is resulting from the smaller trans influence of Cl compared to PPh₃. These differences are also reflected in the Pt—P coupling constants of 3671 and 2627 Hz for the cis and trans isomers, respectively. The other Pt–P coupling constants show the same trend, except for P(C₆H₁₁)₃ which has a larger coupling constant than expected. This observation is probably due to the higher electron donating capability of P(C₆H₁₁)₃, compared to PPh₃. Surprisingly, equivalent Pt—Cl bond distances are observed for the two analogous complexes trans-[PtCl₂L₂] with L = PPh₃ and AsPh₃ [2.2997 (11) and 2.3012 (12) Å, respectively], even though the Pt—As bond [2.4101 (4) Å] is significantly elongated compared to the Pt—P bond [2.3163 (11) Å].

S2. Experimental

PPh₃ (2 g, 7.63 mmol) was added to a mixture of cis- and trans-[PtCl₂(SMe₂)₂] (1 g, 2.55 mmol) in acetone (30 ml) and stirred for 30 min. White cis-[PtCl₂(PPh₃)₂] precipitated from the reaction medium in almost quantitative yields and was isolated by filtration. trans-[PtCl₂(PPh₃)₂] was prepared by photochemical isomerization of cis-[PtCl₂(PPh₃)₂] as described by Mastin & Haake (1970). A mixture of cis-[PtCl₂(PPh₃)₂] (1 g, 1.27 mmol) in chloroform (300 ml) was irradiated with a 240 W medium pressure mercury lamp equipped with a filter to cut out radiation with wavelengths above 366 nm. After 5 h, the chloroform was evaporated at reduced pressure and the remaining solids extracted with benzene to yield a yellow solution containing the desired product. Recrystallization from a benzene/methanol solution gave crystals suitable for X-ray analysis and two were selected for structure analysis. Both data sets was collected with a SMART CCD system with ω scan, −0.3° per frame and 5 s per frame. The detector distance was set to 4 cm for both crystal A and B. The number of reflections is about 35% larger for crystal B compared to A resulting in a more complete data set as well as larger redundancy, 95.8% and 94.5% in B and A, respectively. Spectral data: ³¹P NMR (CDCl₃, 121.497 MHz, 85% H₃PO₄ = 0 p.p.m.): 20.51 (triplet due to 34% ¹⁹⁵Pt), ¹J_PtP = 2627 Hz.

S3. Refinement

The crystallographic raw data frames were integrated, the reflections reduced and corrections were applied for Lorentz and polarization effects.

Computing details

Data collection: SMART (Siemens, 1995) for A; Siemens SMART for B. Cell refinement: SAINT (Siemens, 1995) for A; Siemens SAINT (Siemens, 1995) for B. Data reduction: SAINT (Siemens, 1995) for A; Siemens SAINT (Siemens, 1995) for B. For both compounds, program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997). Molecular graphics: DIAMOND (Brandenburg, 1999) for A; Diamond (Brandenburg, 1999) for B. For both compounds, software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

(A) Trans-dichlorobis(triphenylphosphine-P)platinum(II)

Crystal data

[PtCl2(C18H15P)2]	Z = 1
Mr = 790.53	F(000) = 388
Triclinic, P1	Dx = 1.622 Mg m^−3
a = 9.1857 (18) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.6334 (19) Å	Cell parameters from 6593 reflections
c = 10.379 (2) Å	θ = 2–30°
α = 72.44 (3)°	µ = 4.62 mm^−1
β = 88.50 (3)°	T = 293 K
γ = 68.19 (3)°	Rectangular plate, yellow
V = 809.1 (3) Å^3	0.28 × 0.13 × 0.05 mm

Data collection

Siemens SMART CCD diffractometer	4744 independent reflections
Radiation source: rotating anode	4740 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.022
Detector resolution: 512 x 512 pixels mm^-1	θmax = 31.6°, θmin = 2.1°
ω scans	h = −11→13
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)	k = −9→14
Tmin = 0.358, Tmax = 0.802	l = −13→14
6837 measured reflections

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.060	H-atom parameters constrained
S = 0.91	Calculated w = 1/[σ^2(Fo^2) + (0.0326P)^2] where P = (Fo^2 + 2Fc^2)/3
4744 reflections	(Δ/σ)max = 0.002
187 parameters	Δρmax = 0.84 e Å^−3
0 restraints	Δρmin = −1.13 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
Pt	0.0000	0.0000	0.0000	0.02761 (5)
P	0.02104 (8)	−0.20724 (8)	0.19334 (7)	0.03057 (13)
Cl	−0.20438 (10)	0.15828 (10)	0.08731 (9)	0.0541 (2)
C11	0.1139 (3)	−0.1955 (4)	0.3402 (3)	0.0357 (5)
C12	0.1775 (5)	−0.3240 (5)	0.4552 (4)	0.0584 (9)
H12	0.1753	−0.4208	0.4584	0.070*
C13	0.2449 (6)	−0.3090 (7)	0.5662 (4)	0.0751 (13)
H13	0.2856	−0.3952	0.6443	0.090*
C14	0.2512 (5)	−0.1678 (6)	0.5608 (4)	0.0680 (12)
H14	0.2973	−0.1585	0.6349	0.082*
C15	0.1907 (5)	−0.0418 (5)	0.4483 (5)	0.0621 (10)
H15	0.1956	0.0538	0.4453	0.075*
C16	0.1212 (4)	−0.0538 (4)	0.3369 (4)	0.0470 (7)
H16	0.0795	0.0337	0.2600	0.056*
C21	−0.1708 (3)	−0.2102 (3)	0.2381 (3)	0.0381 (6)
C22	−0.2805 (5)	−0.1813 (6)	0.1354 (4)	0.0620 (10)
H22	−0.2568	−0.1570	0.0457	0.074*
C23	−0.4266 (5)	−0.1883 (6)	0.1654 (5)	0.0730 (12)
H23	−0.4996	−0.1711	0.0960	0.088*
C24	−0.4626 (5)	−0.2204 (6)	0.2964 (6)	0.0745 (13)
H24	−0.5606	−0.2246	0.3158	0.089*
C25	−0.3564 (5)	−0.2468 (6)	0.4001 (5)	0.0671 (11)
H25	−0.3827	−0.2675	0.4892	0.080*
C26	−0.2087 (4)	−0.2424 (4)	0.3712 (4)	0.0490 (7)
H26	−0.1358	−0.2609	0.4411	0.059*
C31	0.1347 (4)	−0.4060 (3)	0.1896 (3)	0.0423 (6)
C32	0.0635 (6)	−0.5083 (5)	0.1843 (5)	0.0686 (11)
H32	−0.0451	−0.4779	0.1856	0.082*
C33	0.1555 (9)	−0.6567 (6)	0.1770 (7)	0.100 (2)
H33	0.1077	−0.7256	0.1738	0.120*
C34	0.3153 (9)	−0.7034 (5)	0.1746 (6)	0.098 (2)
H34	0.3755	−0.8035	0.1703	0.117*
C35	0.3862 (6)	−0.6022 (5)	0.1784 (5)	0.0765 (14)
H35	0.4948	−0.6334	0.1764	0.092*
C36	0.2969 (4)	−0.4535 (4)	0.1851 (4)	0.0549 (8)
H36	0.3456	−0.3849	0.1866	0.066*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pt	0.02726 (7)	0.02789 (7)	0.02579 (7)	−0.00911 (5)	0.00523 (4)	−0.00784 (5)
P	0.0310 (3)	0.0307 (3)	0.0297 (3)	−0.0137 (2)	0.0031 (2)	−0.0067 (2)
Cl	0.0520 (4)	0.0446 (4)	0.0468 (4)	−0.0003 (3)	0.0197 (4)	−0.0123 (3)
C11	0.0302 (12)	0.0472 (15)	0.0310 (12)	−0.0168 (11)	0.0043 (10)	−0.0116 (11)
C12	0.068 (2)	0.061 (2)	0.0393 (17)	−0.0279 (19)	−0.0096 (16)	−0.0013 (15)
C13	0.079 (3)	0.098 (3)	0.0398 (19)	−0.034 (3)	−0.0107 (19)	−0.007 (2)
C14	0.056 (2)	0.104 (3)	0.048 (2)	−0.021 (2)	−0.0009 (17)	−0.041 (2)
C15	0.057 (2)	0.072 (2)	0.069 (3)	−0.0211 (19)	−0.0014 (18)	−0.042 (2)
C16	0.0461 (17)	0.0483 (17)	0.0497 (18)	−0.0166 (14)	−0.0013 (14)	−0.0212 (14)
C21	0.0332 (13)	0.0402 (14)	0.0421 (15)	−0.0183 (11)	0.0058 (11)	−0.0094 (11)
C22	0.0475 (19)	0.091 (3)	0.049 (2)	−0.037 (2)	0.0012 (15)	−0.0112 (19)
C23	0.044 (2)	0.100 (3)	0.083 (3)	−0.036 (2)	−0.001 (2)	−0.029 (3)
C24	0.046 (2)	0.092 (3)	0.106 (4)	−0.039 (2)	0.033 (2)	−0.046 (3)
C25	0.065 (2)	0.087 (3)	0.070 (3)	−0.045 (2)	0.037 (2)	−0.036 (2)
C26	0.0506 (18)	0.060 (2)	0.0486 (18)	−0.0310 (16)	0.0175 (15)	−0.0226 (15)
C31	0.0537 (17)	0.0286 (12)	0.0394 (15)	−0.0128 (12)	0.0001 (13)	−0.0067 (11)
C32	0.086 (3)	0.0453 (19)	0.084 (3)	−0.034 (2)	0.012 (2)	−0.022 (2)
C33	0.148 (6)	0.046 (2)	0.112 (5)	−0.041 (3)	0.006 (4)	−0.031 (3)
C34	0.138 (6)	0.038 (2)	0.090 (4)	0.005 (3)	−0.017 (4)	−0.029 (2)
C35	0.074 (3)	0.060 (2)	0.065 (3)	0.014 (2)	−0.011 (2)	−0.025 (2)
C36	0.0503 (19)	0.0445 (17)	0.058 (2)	−0.0030 (15)	−0.0060 (16)	−0.0174 (15)

Geometric parameters (Å, º)

Pt—Cl	2.2997 (11)	C21—C22	1.377 (5)
Pt—Cl^i	2.2997 (11)	C21—C26	1.386 (4)
Pt—P^i	2.3163 (11)	C22—C23	1.392 (5)
Pt—P	2.3163 (11)	C23—C24	1.361 (7)
P—C11	1.819 (3)	C24—C25	1.372 (7)
P—C21	1.819 (3)	C25—C26	1.395 (5)
P—C31	1.820 (3)	C31—C32	1.385 (5)
C11—C12	1.380 (5)	C31—C36	1.390 (5)
C11—C16	1.381 (4)	C32—C33	1.389 (7)
C12—C13	1.392 (6)	C33—C34	1.368 (9)
C13—C14	1.367 (7)	C34—C35	1.369 (8)
C14—C15	1.351 (7)	C35—C36	1.383 (5)
C15—C16	1.390 (5)
Cl—Pt—Cl^i	180.0	C14—C15—C16	120.5 (4)
Cl—Pt—P^i	92.12 (4)	C11—C16—C15	120.1 (4)
Cl^i—Pt—P^i	87.88 (4)	C22—C21—C26	119.4 (3)
Cl—Pt—P	87.88 (4)	C22—C21—P	118.3 (2)
Cl^i—Pt—P	92.12 (4)	C26—C21—P	122.3 (2)
P^i—Pt—P	180.0	C21—C22—C23	120.3 (4)
C11—P—C21	106.49 (14)	C24—C23—C22	119.9 (4)
C11—P—C31	103.77 (15)	C23—C24—C25	120.9 (3)
C21—P—C31	104.23 (15)	C24—C25—C26	119.6 (4)
C11—P—Pt	111.97 (10)	C21—C26—C25	119.9 (4)
C21—P—Pt	111.83 (11)	C32—C31—C36	119.0 (3)
C31—P—Pt	117.60 (11)	C32—C31—P	121.9 (3)
C12—C11—C16	118.9 (3)	C36—C31—P	119.0 (3)
C12—C11—P	122.0 (3)	C31—C32—C33	119.4 (5)
C16—C11—P	119.1 (2)	C34—C33—C32	121.2 (5)
C11—C12—C13	120.1 (4)	C33—C34—C35	119.7 (4)
C14—C13—C12	120.1 (4)	C34—C35—C36	120.2 (5)
C15—C14—C13	120.2 (4)	C35—C36—C31	120.5 (4)

Symmetry code: (i) −x, −y, −z.

(B) Trans-dichlorobis(triphenylphosphine-P)platinum(II)

Crystal data

[PtCl2{P(C6H5)3}2]	Z = 1
Mr = 790.53	F(000) = 388
Triclinic, P1	Dx = 1.622 Mg m^−3
a = 9.1857 (18) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.6334 (19) Å	Cell parameters from 4853 reflections
c = 10.379 (2) Å	θ = 3–30°
α = 72.44 (3)°	µ = 4.62 mm^−1
β = 88.50 (3)°	T = 293 K
γ = 68.19 (3)°	Rectangular plate, yellow
V = 809.1 (3) Å^3	0.31 × 0.14 × 0.08 mm

Data collection

Siemens SMART CCD diffractometer	4881 independent reflections
Radiation source: rotating anode	4434 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.030
Detector resolution: 512 x 512 pixels mm^-1	θmax = 31.7°, θmin = 2.1°
ω–scan	h = −13→13
Absorption correction: empirical absorption corrections using SADABS (Sheldrick, 1996)	k = −14→13
Tmin = 0.328, Tmax = 0.709	l = −15→14
9288 measured reflections

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)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.057	Riding model
S = 0.96	w = 1/[σ^2(Fo^2) + (0.0273P)^2] where P = (Fo^2 + 2Fc^2)/3
4881 reflections	(Δ/σ)max < 0.001
187 parameters	Δρmax = 0.68 e Å^−3
0 restraints	Δρmin = −1.10 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
Pt	0.0000	0.0000	0.0000	0.02923 (6)
P	0.02119 (8)	−0.20747 (9)	0.19353 (7)	0.03078 (16)
Cl	−0.20427 (11)	0.15824 (10)	0.08745 (9)	0.0544 (2)
C11	0.1138 (3)	−0.1955 (4)	0.3401 (3)	0.0352 (6)
C12	0.1771 (5)	−0.3245 (5)	0.4553 (4)	0.0604 (10)
H12	0.1746	−0.4212	0.4591	0.072*
C13	0.2449 (5)	−0.3079 (6)	0.5660 (4)	0.0748 (13)
H13	0.2861	−0.3941	0.6440	0.090*
C14	0.2518 (5)	−0.1685 (6)	0.5618 (4)	0.0680 (12)
H14	0.2976	−0.1593	0.6360	0.082*
C15	0.1909 (5)	−0.0413 (5)	0.4472 (4)	0.0637 (11)
H15	0.1967	0.0542	0.4429	0.076*
C16	0.1208 (4)	−0.0547 (4)	0.3379 (4)	0.0462 (8)
H16	0.0775	0.0331	0.2615	0.055*
C21	−0.1704 (4)	−0.2107 (4)	0.2387 (3)	0.0395 (7)
C22	−0.2792 (4)	−0.1819 (5)	0.1354 (4)	0.0600 (10)
H22	−0.2550	−0.1584	0.0458	0.072*
C23	−0.4263 (5)	−0.1881 (6)	0.1660 (5)	0.0722 (12)
H23	−0.4994	−0.1706	0.0967	0.087*
C24	−0.4625 (5)	−0.2195 (6)	0.2963 (5)	0.0737 (13)
H24	−0.5605	−0.2236	0.3160	0.088*
C25	−0.3560 (5)	−0.2453 (5)	0.3993 (4)	0.0662 (11)
H25	−0.3825	−0.2652	0.4883	0.079*
C26	−0.2093 (4)	−0.2420 (4)	0.3713 (4)	0.0480 (8)
H26	−0.1367	−0.2608	0.4415	0.058*
C31	0.1357 (4)	−0.4063 (4)	0.1893 (3)	0.0415 (7)
C32	0.0648 (6)	−0.5092 (4)	0.1847 (4)	0.0670 (11)
H32	−0.0436	−0.4794	0.1867	0.080*
C33	0.1571 (8)	−0.6573 (6)	0.1772 (6)	0.0970 (18)
H33	0.1097	−0.7264	0.1738	0.116*
C34	0.3156 (8)	−0.7026 (5)	0.1747 (5)	0.0959 (19)
H34	0.3763	−0.8026	0.1705	0.115*
C35	0.3858 (6)	−0.6013 (5)	0.1783 (4)	0.0759 (14)
H35	0.4943	−0.6325	0.1765	0.091*
C36	0.2973 (4)	−0.4538 (4)	0.1846 (4)	0.0541 (9)
H36	0.3462	−0.3851	0.1856	0.065*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pt	0.02712 (9)	0.02976 (10)	0.02844 (9)	−0.00872 (7)	0.00525 (6)	−0.00879 (6)
P	0.0292 (4)	0.0310 (4)	0.0308 (4)	−0.0120 (3)	0.0024 (3)	−0.0072 (3)
Cl	0.0509 (5)	0.0439 (5)	0.0484 (5)	0.0010 (4)	0.0194 (4)	−0.0122 (4)
C11	0.0287 (15)	0.0428 (18)	0.0336 (15)	−0.0138 (13)	0.0028 (12)	−0.0110 (13)
C12	0.070 (3)	0.062 (3)	0.046 (2)	−0.031 (2)	−0.0070 (18)	−0.0034 (18)
C13	0.073 (3)	0.095 (4)	0.039 (2)	−0.024 (3)	−0.0162 (19)	−0.004 (2)
C14	0.057 (2)	0.105 (4)	0.050 (2)	−0.025 (3)	0.0003 (19)	−0.043 (3)
C15	0.050 (2)	0.077 (3)	0.073 (3)	−0.016 (2)	−0.003 (2)	−0.046 (2)
C16	0.0440 (19)	0.0438 (19)	0.0492 (19)	−0.0119 (16)	−0.0003 (15)	−0.0182 (16)
C21	0.0366 (17)	0.0382 (18)	0.0442 (18)	−0.0167 (14)	0.0046 (13)	−0.0104 (14)
C22	0.047 (2)	0.090 (3)	0.049 (2)	−0.038 (2)	0.0027 (16)	−0.015 (2)
C23	0.044 (2)	0.096 (3)	0.081 (3)	−0.037 (2)	−0.005 (2)	−0.022 (3)
C24	0.047 (2)	0.093 (3)	0.102 (4)	−0.040 (2)	0.033 (2)	−0.045 (3)
C25	0.061 (3)	0.089 (3)	0.069 (3)	−0.043 (2)	0.033 (2)	−0.038 (2)
C26	0.048 (2)	0.058 (2)	0.0474 (19)	−0.0287 (18)	0.0150 (15)	−0.0207 (17)
C31	0.050 (2)	0.0306 (17)	0.0361 (16)	−0.0097 (15)	−0.0021 (14)	−0.0064 (13)
C32	0.079 (3)	0.044 (2)	0.086 (3)	−0.033 (2)	0.009 (2)	−0.021 (2)
C33	0.137 (5)	0.047 (3)	0.116 (4)	−0.039 (3)	0.000 (4)	−0.030 (3)
C34	0.129 (5)	0.037 (3)	0.089 (4)	0.012 (3)	−0.025 (3)	−0.028 (2)
C35	0.073 (3)	0.056 (3)	0.064 (3)	0.017 (2)	−0.012 (2)	−0.023 (2)
C36	0.047 (2)	0.047 (2)	0.056 (2)	−0.0023 (17)	−0.0070 (17)	−0.0182 (17)

Geometric parameters (Å, º)

Pt—Cl^i	2.2997 (11)	C21—C22	1.377 (5)
Pt—Cl	2.2997 (11)	C21—C26	1.384 (4)
Pt—P	2.3187 (12)	C22—C23	1.398 (5)
Pt—P^i	2.3187 (12)	C23—C24	1.355 (6)
P—C11	1.816 (3)	C24—C25	1.369 (6)
P—C21	1.819 (3)	C25—C26	1.381 (5)
P—C31	1.824 (3)	C31—C32	1.385 (5)
C11—C16	1.375 (5)	C31—C36	1.386 (5)
C11—C12	1.383 (5)	C32—C33	1.387 (6)
C12—C13	1.399 (6)	C33—C34	1.358 (8)
C13—C14	1.355 (6)	C34—C35	1.364 (7)
C14—C15	1.369 (6)	C35—C36	1.371 (5)
C15—C16	1.380 (5)
Cl^i—Pt—Cl	180.0	C14—C15—C16	120.2 (4)
Cl^i—Pt—P	92.12 (4)	C11—C16—C15	121.2 (4)
Cl—Pt—P	87.88 (4)	C22—C21—C26	119.6 (3)
Cl^i—Pt—P^i	87.88 (4)	C22—C21—P	117.7 (2)
Cl—Pt—P^i	92.12 (4)	C26—C21—P	122.7 (3)
P—Pt—P^i	180.00 (4)	C21—C22—C23	119.6 (4)
C11—P—C21	106.35 (14)	C24—C23—C22	120.2 (4)
C11—P—C31	103.85 (15)	C23—C24—C25	120.5 (3)
C21—P—C31	104.45 (15)	C24—C25—C26	120.1 (4)
C11—P—Pt	111.93 (10)	C25—C26—C21	120.0 (4)
C21—P—Pt	111.93 (11)	C32—C31—C36	118.8 (3)
C31—P—Pt	117.39 (11)	C32—C31—P	121.8 (3)
C16—C11—C12	118.7 (3)	C36—C31—P	119.3 (3)
C16—C11—P	119.5 (2)	C31—C32—C33	119.4 (4)
C12—C11—P	121.8 (3)	C34—C33—C32	120.9 (5)
C11—C12—C13	119.3 (4)	C33—C34—C35	119.9 (4)
C14—C13—C12	121.2 (4)	C34—C35—C36	120.4 (5)
C13—C14—C15	119.4 (4)	C35—C36—C31	120.5 (4)

Symmetry code: (i) −x, −y, −z.