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The title compound, [PtCl2(C13H13OP)2], adopts a cis-square-planar geometry. Mol­ecules are linked by C—H...Cl and C—H...π(arene) inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807031005/gg2017sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807031005/gg2017Isup2.hkl
Contains datablock I

CCDC reference: 654839

Key indicators

  • Single-crystal X-ray study
  • T = 125 K
  • Mean [sigma](C-C)= 0.006 Å
  • R factor = 0.041
  • wR factor = 0.062
  • Data-to-parameter ratio = 19.5

checkCIF/PLATON results

No syntax errors found


No errors found in this datablock

Comment top

The title complex (I) can be compared to similar platinum dichloride complexes containing trimethoxy phosphite; [PtCl2(P(OMe)3)2] (Bao et al., 1987) and triphenyl phosphine [PtCl2(PPh3)2] (Fun et al., 2006). The geometry at the platinum atom in the title compound (I) bears a closer resemblance to the triphenyl phosphine complex and can be compared with [PtCl2(P(OMe)2Ph)2] (Slawin et al., 2007).

Related literature top

For related literature on PtCl2L2 complexes, see: Bao et al. (1987); Fun et al. (2006); Slawin et al. (2007).

Cg1 and Cg2 are the centroids of the C7–c12 and C20–C25 rings.

Experimental top

0.8 g (2.14 mmol) of PtCl2(COD) was dissolved in the minimum volume of dichloromethane in a round-bottomed flask. To this, 0.921 ml (4.28 mmol) of methyldiphenylphosphinite was added. The solution was then stirred for 0.5 h at room temperature. The product was precipitated via slow diffusion of hexane and was then filtered off and dried under vacuum, [PtCl2(P(OMe)Ph2)2] (1.93 mmol,ca 90%. 31P-{1H} NMR: δ 85.2 p.p.m. J{Pt—P} 4183 Hz.

Refinement top

All H atoms were included in calculated positions (C—H distances are 0.96 Å for methyl H atoms, 0.97 Å for methylene H atoms and 0.98 Å for methine H atoms) and were refined as riding atoms with Uiso(H) = 1.2 Ueq(parent atom, methylene and methine H atoms) or Uiso(H) = 1.5 Ueq(parent atom, methyl H atoms).

Structure description top

The title complex (I) can be compared to similar platinum dichloride complexes containing trimethoxy phosphite; [PtCl2(P(OMe)3)2] (Bao et al., 1987) and triphenyl phosphine [PtCl2(PPh3)2] (Fun et al., 2006). The geometry at the platinum atom in the title compound (I) bears a closer resemblance to the triphenyl phosphine complex and can be compared with [PtCl2(P(OMe)2Ph)2] (Slawin et al., 2007).

For related literature on PtCl2L2 complexes, see: Bao et al. (1987); Fun et al. (2006); Slawin et al. (2007).

Cg1 and Cg2 are the centroids of the C7–c12 and C20–C25 rings.

Computing details top

Data collection: SCXmini Software (Rigaku/MSC, 2006); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: PROCESS-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: CrystalStructure (Rigaku/MSC, 2006); software used to prepare material for publication: CrystalStructure.

Figures top
[Figure 1] Fig. 1. The structure of (1) with displacement ellipsoids drawn at the 50% probability level, H atoms omitted for clarity.
cis-Dichloridobis(methoxydiphenylphosphino)platinum(II) top
Crystal data top
[PtCl2(C13H13OP)2]F(000) = 1360.00
Mr = 698.43Dx = 1.824 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71075 Å
Hall symbol: -P 2ynCell parameters from 23439 reflections
a = 12.4262 (6) Åθ = 3.1–27.6°
b = 13.6280 (7) ŵ = 5.85 mm1
c = 15.0494 (8) ÅT = 125 K
β = 93.5316 (11)°Prism, colorless
V = 2543.7 (2) Å30.25 × 0.15 × 0.12 mm
Z = 4
Data collection top
Rigaku SCXmini
diffractometer
4910 reflections with F2 > 2σ(F2)
Detector resolution: 6.85 pixels mm-1Rint = 0.057
ω scansθmax = 27.5°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 1616
Tmin = 0.377, Tmax = 0.495k = 1717
26133 measured reflectionsl = 1919
5827 independent reflections
Refinement top
Refinement on F2H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.041 w = 1/[σ2(Fo2) + (0.0124P)2 + 7.7753P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.062(Δ/σ)max = 0.002
S = 1.13Δρmax = 0.99 e Å3
5827 reflectionsΔρmin = 1.02 e Å3
299 parameters
Crystal data top
[PtCl2(C13H13OP)2]V = 2543.7 (2) Å3
Mr = 698.43Z = 4
Monoclinic, P21/nMo Kα radiation
a = 12.4262 (6) ŵ = 5.85 mm1
b = 13.6280 (7) ÅT = 125 K
c = 15.0494 (8) Å0.25 × 0.15 × 0.12 mm
β = 93.5316 (11)°
Data collection top
Rigaku SCXmini
diffractometer
5827 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
4910 reflections with F2 > 2σ(F2)
Tmin = 0.377, Tmax = 0.495Rint = 0.057
26133 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.041299 parameters
wR(F2) = 0.062H-atom parameters constrained
S = 1.13Δρmax = 0.99 e Å3
5827 reflectionsΔρmin = 1.02 e Å3
Special details top

Refinement. Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pt(1)0.075336 (15)0.162861 (13)0.837844 (12)0.01364 (4)
Cl(1)0.10233 (10)0.03053 (9)0.73956 (8)0.0204 (2)
Cl(2)0.11089 (10)0.12977 (9)0.82742 (9)0.0229 (2)
P(1)0.25475 (9)0.16303 (10)0.85328 (8)0.0146 (2)
P(2)0.04528 (10)0.29335 (9)0.92198 (8)0.0135 (2)
O(1)0.3161 (2)0.1781 (2)0.7644 (2)0.0205 (7)
O(2)0.1320 (2)0.3806 (2)0.9213 (2)0.0162 (7)
C(1)0.3066 (3)0.0446 (3)0.8932 (3)0.0165 (10)
C(2)0.4104 (4)0.0170 (3)0.8755 (3)0.0229 (11)
C(3)0.4538 (4)0.0690 (3)0.9111 (3)0.0261 (12)
C(4)0.3943 (4)0.1272 (3)0.9644 (3)0.0277 (12)
C(5)0.2914 (4)0.0996 (3)0.9842 (3)0.0285 (12)
C(6)0.2473 (4)0.0138 (3)0.9477 (3)0.0238 (11)
C(7)0.3255 (3)0.2451 (3)0.9318 (3)0.0161 (10)
C(8)0.3143 (3)0.2328 (3)1.0229 (3)0.0182 (10)
C(9)0.3715 (4)0.2924 (3)1.0838 (3)0.0267 (12)
C(10)0.4417 (4)0.3621 (3)1.0537 (4)0.0279 (13)
C(11)0.4526 (4)0.3749 (3)0.9635 (3)0.0273 (12)
C(12)0.3945 (3)0.3163 (3)0.9024 (3)0.0219 (11)
C(13)0.2720 (4)0.2348 (4)0.6905 (3)0.0297 (13)
C(14)0.0499 (3)0.2684 (3)1.0394 (3)0.0156 (10)
C(15)0.0338 (3)0.1735 (3)1.0697 (3)0.0221 (11)
C(16)0.0487 (4)0.1518 (4)1.1591 (3)0.0287 (12)
C(17)0.0785 (4)0.2256 (4)1.2200 (3)0.0271 (12)
C(18)0.0940 (4)0.3196 (4)1.1909 (3)0.0267 (12)
C(19)0.0800 (3)0.3427 (3)1.1010 (3)0.0193 (10)
C(20)0.0821 (3)0.3548 (3)0.8926 (3)0.0167 (10)
C(21)0.1502 (4)0.3860 (3)0.9576 (3)0.0201 (11)
C(22)0.2438 (4)0.4369 (3)0.9331 (3)0.0264 (12)
C(23)0.2699 (4)0.4580 (3)0.8444 (3)0.0251 (12)
C(24)0.2024 (4)0.4278 (3)0.7794 (3)0.0246 (12)
C(25)0.1105 (4)0.3757 (3)0.8035 (3)0.0206 (11)
C(26)0.1466 (4)0.4373 (3)0.8418 (3)0.0242 (11)
H(30)0.22600.28680.71230.036*
H(2)0.45190.05710.83890.028*
H(3)0.52490.08790.89870.031*
H(4)0.42420.18670.98770.033*
H(5)0.25130.13891.02250.034*
H(6)0.17620.00490.96020.029*
H(31)0.22910.19210.64970.036*
H(8)0.26750.18361.04320.022*
H(9)0.36250.28551.14580.032*
H(10)0.48280.40141.09540.033*
H(11)0.49980.42390.94350.033*
H(12)0.40210.32490.84050.026*
H(33)0.33080.26420.65910.036*
H(28)0.20170.40610.80750.029*
H(15)0.01250.12321.02850.026*
H(16)0.03870.08661.17920.034*
H(17)0.08810.21071.28160.033*
H(18)0.11440.36951.23260.032*
H(19)0.09060.40791.08130.023*
H(21)0.13210.37231.01860.024*
H(22)0.29020.45750.97740.032*
H(23)0.33410.49320.82790.030*
H(24)0.21970.44310.71870.029*
H(25)0.06560.35350.75870.025*
H(26)0.16970.50390.85850.029*
H(27)0.07840.44020.80570.029*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt(1)0.01313 (9)0.01225 (9)0.01551 (9)0.00037 (9)0.00053 (6)0.00182 (9)
Cl(1)0.0223 (6)0.0175 (6)0.0212 (6)0.0008 (5)0.0010 (5)0.0066 (4)
Cl(2)0.0150 (6)0.0211 (6)0.0326 (7)0.0030 (4)0.0014 (5)0.0064 (5)
P(1)0.0142 (5)0.0143 (5)0.0155 (5)0.0010 (5)0.0013 (4)0.0010 (5)
P(2)0.0130 (6)0.0122 (6)0.0155 (6)0.0007 (4)0.0014 (5)0.0005 (4)
O(1)0.0209 (18)0.024 (2)0.0172 (17)0.0041 (15)0.0050 (14)0.0029 (14)
O(2)0.0180 (17)0.0141 (16)0.0167 (17)0.0023 (14)0.0024 (14)0.0011 (13)
C(1)0.018 (2)0.015 (2)0.016 (2)0.005 (2)0.001 (2)0.0011 (19)
C(2)0.023 (2)0.026 (2)0.020 (2)0.005 (2)0.001 (2)0.006 (2)
C(3)0.024 (2)0.028 (3)0.026 (3)0.014 (2)0.003 (2)0.008 (2)
C(4)0.036 (3)0.019 (2)0.027 (3)0.010 (2)0.005 (2)0.004 (2)
C(5)0.041 (3)0.019 (2)0.026 (3)0.001 (2)0.002 (2)0.003 (2)
C(6)0.021 (2)0.018 (2)0.032 (3)0.006 (2)0.006 (2)0.001 (2)
C(7)0.012 (2)0.017 (2)0.020 (2)0.0057 (19)0.001 (2)0.002 (2)
C(8)0.014 (2)0.015 (2)0.025 (2)0.003 (2)0.002 (2)0.001 (2)
C(9)0.032 (3)0.029 (3)0.018 (2)0.012 (2)0.007 (2)0.003 (2)
C(10)0.021 (2)0.019 (2)0.042 (3)0.004 (2)0.012 (2)0.015 (2)
C(11)0.022 (2)0.017 (2)0.043 (3)0.002 (2)0.001 (2)0.004 (2)
C(12)0.020 (2)0.017 (2)0.029 (2)0.003 (2)0.003 (2)0.001 (2)
C(13)0.031 (3)0.040 (3)0.019 (2)0.005 (2)0.005 (2)0.009 (2)
C(14)0.013 (2)0.016 (2)0.019 (2)0.0050 (19)0.0029 (19)0.0043 (19)
C(15)0.020 (2)0.020 (2)0.027 (2)0.002 (2)0.007 (2)0.000 (2)
C(16)0.032 (3)0.020 (2)0.035 (3)0.004 (2)0.009 (2)0.014 (2)
C(17)0.028 (3)0.037 (3)0.017 (2)0.004 (2)0.003 (2)0.010 (2)
C(18)0.029 (2)0.033 (3)0.019 (2)0.002 (2)0.002 (2)0.003 (2)
C(19)0.025 (2)0.016 (2)0.017 (2)0.002 (2)0.003 (2)0.001 (2)
C(20)0.016 (2)0.010 (2)0.023 (2)0.0010 (19)0.001 (2)0.0001 (19)
C(21)0.021 (2)0.018 (2)0.021 (2)0.000 (2)0.002 (2)0.001 (2)
C(22)0.020 (2)0.028 (3)0.032 (3)0.004 (2)0.003 (2)0.007 (2)
C(23)0.016 (2)0.016 (2)0.042 (3)0.009 (2)0.008 (2)0.004 (2)
C(24)0.025 (2)0.023 (2)0.024 (2)0.002 (2)0.011 (2)0.000 (2)
C(25)0.019 (2)0.021 (2)0.021 (2)0.001 (2)0.001 (2)0.000 (2)
C(26)0.026 (2)0.022 (2)0.025 (2)0.006 (2)0.004 (2)0.004 (2)
Geometric parameters (Å, º) top
Pt1—Cl12.3693 (12)C(20)—C(25)1.395 (6)
Pt1—Cl22.3533 (12)C(21)—C(22)1.385 (7)
Pt1—P12.2272 (11)C(22)—C(23)1.385 (7)
Pt1—P22.2279 (12)C(23)—C(24)1.389 (7)
P(1)—O(1)1.593 (3)C(24)—C(25)1.375 (7)
P(1)—C(1)1.826 (4)C(2)—H(2)0.950
P(1)—C(7)1.815 (4)C(3)—H(3)0.950
P(2)—O(2)1.605 (3)C(4)—H(4)0.950
P(2)—C(14)1.797 (4)C(5)—H(5)0.950
P(2)—C(20)1.821 (4)C(6)—H(6)0.950
O(1)—C(13)1.434 (6)C(8)—H(8)0.950
O(2)—C(26)1.444 (6)C(9)—H(9)0.950
C(1)—C(2)1.385 (7)C(10)—H(10)0.950
C(1)—C(6)1.388 (7)C(11)—H(11)0.950
C(2)—C(3)1.384 (7)C(12)—H(12)0.950
C(3)—C(4)1.375 (7)C(13)—H(30)0.980
C(4)—C(5)1.383 (8)C(13)—H(31)0.980
C(5)—C(6)1.390 (7)C(13)—H(33)0.980
C(7)—C(8)1.396 (6)C(15)—H(15)0.950
C(7)—C(12)1.386 (6)C(16)—H(16)0.950
C(8)—C(9)1.387 (7)C(17)—H(17)0.950
C(9)—C(10)1.385 (7)C(18)—H(18)0.950
C(10)—C(11)1.383 (8)C(19)—H(19)0.950
C(11)—C(12)1.387 (7)C(21)—H(21)0.950
C(14)—C(15)1.390 (6)C(22)—H(22)0.950
C(14)—C(19)1.407 (6)C(23)—H(23)0.950
C(15)—C(16)1.379 (7)C(24)—H(24)0.950
C(16)—C(17)1.395 (7)C(25)—H(25)0.950
C(17)—C(18)1.372 (7)C(26)—H(28)0.980
C(18)—C(19)1.389 (6)C(26)—H(26)0.980
C(20)—C(21)1.398 (7)C(26)—H(27)0.980
Cl(1)···C(16)i3.518 (5)H(31)···H(22)x3.295
O(2)···C(22)ii3.542 (6)H(31)···H(26)iii2.863
C(2)···C(26)iii3.478 (7)H(8)···H(3)iv2.974
C(3)···C(3)iv3.412 (7)H(8)···H(24)vi3.152
C(4)···C(13)iii3.557 (7)H(9)···Cl(2)vi2.968
C(5)···C(13)iii3.518 (7)H(9)···C(25)vi3.236
C(13)···C(4)v3.557 (7)H(9)···H(3)iv3.125
C(13)···C(5)v3.518 (7)H(9)···H(23)ii3.066
C(16)···Cl(1)i3.518 (5)H(9)···H(24)vi3.477
C(17)···C(23)vi3.589 (7)H(9)···H(25)vi2.663
C(17)···C(24)vi3.504 (7)H(10)···Cl(1)vi2.716
C(22)···O(2)ii3.542 (6)H(10)···C(11)ix3.287
C(23)···C(17)vii3.589 (7)H(10)···C(23)ii3.433
C(24)···C(17)vii3.504 (7)H(10)···H(4)iv3.412
C(26)···C(2)v3.478 (7)H(10)···H(31)vi3.369
Cl(1)···H(10)vii2.716H(10)···H(11)ix2.463
Cl(1)···H(11)iii3.298H(10)···H(22)xi3.508
Cl(1)···H(12)iii3.049H(10)···H(22)ii3.210
Cl(1)···H(28)iii3.085H(10)···H(23)ii2.660
Cl(1)···H(16)i2.716H(11)···Cl(1)v3.298
Cl(1)···H(23)viii3.462H(11)···C(10)ix3.005
Cl(1)···H(26)iii3.294H(11)···C(11)ix3.118
Cl(2)···H(5)i2.941H(11)···C(22)xi3.205
Cl(2)···H(9)vii2.968H(11)···C(23)xi3.340
Cl(2)···H(16)i3.085H(11)···H(4)iv3.506
Cl(2)···H(23)viii3.034H(11)···H(10)ix2.463
Cl(2)···H(24)viii3.347H(11)···H(11)ix2.682
O(1)···H(26)iii3.021H(11)···H(17)x3.291
O(2)···H(21)ii3.488H(11)···H(22)xi2.667
O(2)···H(22)ii3.270H(11)···H(22)ii3.346
C(1)···H(28)iii3.556H(11)···H(23)xi2.935
C(2)···H(3)iv3.577H(12)···Cl(1)v3.049
C(2)···H(28)iii3.366H(12)···C(16)x3.389
C(2)···H(27)iii2.931H(12)···C(17)x3.010
C(3)···H(30)iii3.434H(12)···H(16)x3.276
C(3)···H(3)iv3.570H(12)···H(17)x2.572
C(3)···H(25)iii3.165H(33)···C(4)v3.583
C(3)···H(27)iii3.265H(33)···C(5)v3.163
C(4)···H(30)iii3.192H(33)···C(6)v3.534
C(4)···H(2)iv3.554H(33)···C(14)x3.385
C(4)···H(31)iii3.323H(33)···C(15)x3.052
C(4)···H(33)iii3.583H(33)···C(16)x2.940
C(5)···H(30)iii3.334H(33)···C(17)x3.160
C(5)···H(31)iii3.482H(33)···C(18)x3.468
C(5)···H(33)iii3.163H(33)···C(19)x3.578
C(6)···H(33)iii3.534H(33)···H(5)v3.148
C(6)···H(15)i3.594H(33)···H(15)x3.444
C(7)···H(4)iv3.363H(33)···H(16)x3.287
C(8)···H(3)iv2.999H(33)···H(21)x2.874
C(8)···H(4)iv3.324H(33)···H(26)iii3.557
C(9)···H(3)iv3.074H(28)···Cl(1)v3.085
C(9)···H(4)iv3.166H(28)···C(1)v3.556
C(9)···H(23)ii3.255H(28)···C(2)v3.366
C(9)···H(25)vi3.353H(28)···H(2)v3.494
C(10)···H(4)iv3.001H(15)···C(6)i3.594
C(10)···H(11)ix3.005H(15)···H(5)i3.327
C(10)···H(22)ii3.115H(15)···H(6)i2.937
C(10)···H(23)ii3.024H(15)···H(33)xii3.444
C(11)···H(4)iv3.054H(15)···H(15)i3.476
C(11)···H(10)ix3.287H(16)···Cl(1)i2.716
C(11)···H(11)ix3.118H(16)···Cl(2)i3.085
C(11)···H(17)x3.502H(16)···C(23)vi3.387
C(11)···H(22)xi3.382H(16)···C(24)vi3.473
C(11)···H(22)ii3.209H(16)···H(6)i3.521
C(12)···H(4)iv3.235H(16)···H(12)xii3.276
C(12)···H(17)x3.125H(16)···H(33)xii3.287
C(13)···H(21)x3.259H(16)···H(23)vi2.873
C(13)···H(26)iii3.322H(16)···H(24)vi3.051
C(14)···H(33)xii3.385H(17)···C(11)xii3.502
C(15)···H(6)i3.575H(17)···C(12)xii3.125
C(15)···H(33)xii3.052H(17)···C(23)vi3.014
C(16)···H(12)xii3.389H(17)···C(24)vi3.217
C(16)···H(33)xii2.940H(17)···H(11)xii3.291
C(16)···H(23)vi3.468H(17)···H(12)xii2.572
C(16)···H(24)vi3.231H(17)···H(23)vi3.009
C(17)···H(12)xii3.010H(17)···H(24)vi3.358
C(17)···H(33)xii3.160H(18)···C(23)ii3.298
C(17)···H(23)vi3.534H(18)···C(24)ii2.980
C(17)···H(24)vi3.403H(18)···C(25)ii3.514
C(18)···H(2)xii3.374H(18)···H(2)xii2.835
C(18)···H(33)xii3.468H(18)···H(23)ii3.477
C(19)···H(33)xii3.578H(18)···H(24)ii2.941
C(20)···H(19)ii3.259H(18)···H(27)ii3.553
C(21)···H(31)xii3.503H(19)···C(20)ii3.259
C(21)···H(19)ii2.971H(19)···C(21)ii2.971
C(21)···H(26)ii3.170H(19)···C(22)ii2.861
C(22)···H(11)xiii3.205H(19)···C(23)ii3.040
C(22)···H(19)ii2.861H(19)···C(24)ii3.313
C(22)···H(26)ii3.313H(19)···C(25)ii3.422
C(23)···H(10)ii3.433H(19)···H(21)ii3.405
C(23)···H(11)xiii3.340H(19)···H(22)ii3.250
C(23)···H(16)vii3.387H(19)···H(23)ii3.511
C(23)···H(17)vii3.014H(19)···H(27)ii3.468
C(23)···H(18)ii3.298H(21)···O(2)ii3.488
C(23)···H(19)ii3.040H(21)···C(13)xii3.259
C(24)···H(3)v3.582H(21)···C(26)ii3.351
C(24)···H(16)vii3.473H(21)···H(5)i3.546
C(24)···H(17)vii3.217H(21)···H(31)xii2.837
C(24)···H(18)ii2.980H(21)···H(33)xii2.874
C(24)···H(19)ii3.313H(21)···H(19)ii3.405
C(25)···H(3)v3.322H(21)···H(26)ii2.568
C(25)···H(9)vii3.236H(22)···O(2)ii3.270
C(25)···H(18)ii3.514H(22)···C(10)ii3.115
C(25)···H(19)ii3.422H(22)···C(11)xiii3.382
C(26)···H(2)v3.340H(22)···C(11)ii3.209
C(26)···H(21)ii3.351H(22)···C(26)ii3.471
C(26)···H(22)ii3.471H(22)···H(31)xii3.295
H(30)···C(3)v3.434H(22)···H(10)xiii3.508
H(30)···C(4)v3.192H(22)···H(10)ii3.210
H(30)···C(5)v3.334H(22)···H(11)xiii2.667
H(30)···H(4)v3.461H(22)···H(11)ii3.346
H(2)···C(4)iv3.554H(22)···H(19)ii3.250
H(2)···C(18)x3.374H(22)···H(26)ii2.858
H(2)···C(26)iii3.340H(23)···Cl(1)xiv3.462
H(2)···H(4)iv3.436H(23)···Cl(2)xiv3.034
H(2)···H(28)iii3.494H(23)···C(9)ii3.255
H(2)···H(18)x2.835H(23)···C(10)ii3.024
H(2)···H(25)iii3.480H(23)···C(16)vii3.468
H(2)···H(26)iii3.329H(23)···C(17)vii3.534
H(2)···H(27)iii2.704H(23)···H(9)ii3.066
H(3)···C(2)iv3.577H(23)···H(10)ii2.660
H(3)···C(3)iv3.570H(23)···H(11)xiii2.935
H(3)···C(8)iv2.999H(23)···H(16)vii2.873
H(3)···C(9)iv3.074H(23)···H(17)vii3.009
H(3)···C(24)iii3.582H(23)···H(18)ii3.477
H(3)···C(25)iii3.322H(23)···H(19)ii3.511
H(3)···H(8)iv2.974H(24)···Cl(2)xiv3.347
H(3)···H(9)iv3.125H(24)···C(16)vii3.231
H(3)···H(24)iii3.112H(24)···C(17)vii3.403
H(3)···H(25)iii2.579H(24)···H(3)v3.112
H(3)···H(27)iii3.281H(24)···H(8)vii3.152
H(4)···C(7)iv3.363H(24)···H(9)vii3.477
H(4)···C(8)iv3.324H(24)···H(16)vii3.051
H(4)···C(9)iv3.166H(24)···H(17)vii3.358
H(4)···C(10)iv3.001H(24)···H(18)ii2.941
H(4)···C(11)iv3.054H(25)···C(3)v3.165
H(4)···C(12)iv3.235H(25)···C(9)vii3.353
H(4)···H(30)iii3.461H(25)···H(2)v3.480
H(4)···H(2)iv3.436H(25)···H(3)v2.579
H(4)···H(31)iii3.185H(25)···H(9)vii2.663
H(4)···H(10)iv3.412H(26)···Cl(1)v3.294
H(4)···H(11)iv3.506H(26)···O(1)v3.021
H(5)···Cl(2)i2.941H(26)···C(13)v3.322
H(5)···H(31)iii3.486H(26)···C(21)ii3.170
H(5)···H(33)iii3.148H(26)···C(22)ii3.313
H(5)···H(15)i3.327H(26)···H(2)v3.329
H(5)···H(21)i3.546H(26)···H(31)v2.863
H(6)···C(15)i3.575H(26)···H(33)v3.557
H(6)···H(15)i2.937H(26)···H(21)ii2.568
H(6)···H(16)i3.521H(26)···H(22)ii2.858
H(31)···C(4)v3.323H(27)···C(2)v2.931
H(31)···C(5)v3.482H(27)···C(3)v3.265
H(31)···C(21)x3.503H(27)···H(2)v2.704
H(31)···H(4)v3.185H(27)···H(3)v3.281
H(31)···H(5)v3.486H(27)···H(18)ii3.553
H(31)···H(10)vii3.369H(27)···H(19)ii3.468
H(31)···H(21)x2.837
Cl1—Pt1—Cl289.37 (4)C(1)—C(2)—H(2)120.0
P1—Pt1—P298.14 (4)C(3)—C(2)—H(2)120.0
Cl1—Pt1—P183.49 (4)C(2)—C(3)—H(3)119.9
Cl1—Pt1—P2175.95 (4)C(4)—C(3)—H(3)119.9
Cl2—Pt1—P1168.82 (4)C(3)—C(4)—H(4)119.8
Cl2—Pt1—P289.56 (4)C(5)—C(4)—H(4)119.8
Pt(1)—P(1)—O(1)116.11 (12)C(4)—C(5)—H(5)120.3
Pt(1)—P(1)—C(1)111.37 (16)C(6)—C(5)—H(5)120.3
Pt(1)—P(1)—C(7)120.68 (16)C(1)—C(6)—H(6)119.8
O(1)—P(1)—C(1)102.3 (2)C(5)—C(6)—H(6)119.8
O(1)—P(1)—C(7)103.3 (2)C(7)—C(8)—H(8)120.0
C(1)—P(1)—C(7)100.6 (2)C(9)—C(8)—H(8)120.0
Pt(1)—P(2)—O(2)116.82 (13)C(8)—C(9)—H(9)120.3
Pt(1)—P(2)—C(14)114.29 (15)C(10)—C(9)—H(9)120.3
Pt(1)—P(2)—C(20)113.76 (15)C(9)—C(10)—H(10)119.7
O(2)—P(2)—C(14)99.56 (19)C(11)—C(10)—H(10)119.7
O(2)—P(2)—C(20)103.39 (19)C(10)—C(11)—H(11)120.0
C(14)—P(2)—C(20)107.5 (2)C(12)—C(11)—H(11)120.0
P(1)—O(1)—C(13)122.7 (3)C(7)—C(12)—H(12)120.0
P(2)—O(2)—C(26)121.4 (2)C(11)—C(12)—H(12)120.0
P(1)—C(1)—C(2)119.4 (3)O(1)—C(13)—H(30)109.5
P(1)—C(1)—C(6)120.8 (3)O(1)—C(13)—H(31)109.5
C(2)—C(1)—C(6)119.5 (4)O(1)—C(13)—H(33)109.5
C(1)—C(2)—C(3)120.0 (4)H(30)—C(13)—H(31)109.5
C(2)—C(3)—C(4)120.3 (5)H(30)—C(13)—H(33)109.5
C(3)—C(4)—C(5)120.4 (4)H(31)—C(13)—H(33)109.5
C(4)—C(5)—C(6)119.4 (5)C(14)—C(15)—H(15)119.8
C(1)—C(6)—C(5)120.4 (4)C(16)—C(15)—H(15)119.8
P(1)—C(7)—C(8)119.5 (3)C(15)—C(16)—H(16)120.0
P(1)—C(7)—C(12)120.5 (3)C(17)—C(16)—H(16)120.0
C(8)—C(7)—C(12)119.9 (4)C(16)—C(17)—H(17)120.0
C(7)—C(8)—C(9)120.1 (4)C(18)—C(17)—H(17)120.0
C(8)—C(9)—C(10)119.5 (4)C(17)—C(18)—H(18)119.7
C(9)—C(10)—C(11)120.7 (4)C(19)—C(18)—H(18)119.6
C(10)—C(11)—C(12)120.0 (4)C(14)—C(19)—H(19)120.3
C(7)—C(12)—C(11)119.9 (4)C(18)—C(19)—H(19)120.3
P(2)—C(14)—C(15)120.1 (3)C(20)—C(21)—H(21)120.0
P(2)—C(14)—C(19)120.2 (3)C(22)—C(21)—H(21)120.0
C(15)—C(14)—C(19)119.4 (4)C(21)—C(22)—H(22)119.9
C(14)—C(15)—C(16)120.4 (4)C(23)—C(22)—H(22)119.9
C(15)—C(16)—C(17)120.1 (4)C(22)—C(23)—H(23)120.0
C(16)—C(17)—C(18)120.0 (4)C(24)—C(23)—H(23)120.0
C(17)—C(18)—C(19)120.7 (4)C(23)—C(24)—H(24)120.1
C(14)—C(19)—C(18)119.4 (4)C(25)—C(24)—H(24)120.1
P(2)—C(20)—C(21)121.6 (3)C(20)—C(25)—H(25)119.5
P(2)—C(20)—C(25)119.5 (3)C(24)—C(25)—H(25)119.5
C(21)—C(20)—C(25)118.8 (4)O(2)—C(26)—H(28)109.5
C(20)—C(21)—C(22)120.1 (4)O(2)—C(26)—H(26)109.5
C(21)—C(22)—C(23)120.2 (5)O(2)—C(26)—H(27)109.5
C(22)—C(23)—C(24)120.1 (4)H(28)—C(26)—H(26)109.5
C(23)—C(24)—C(25)119.7 (4)H(28)—C(26)—H(27)109.5
C(20)—C(25)—C(24)121.0 (4)H(26)—C(26)—H(27)109.5
Cl(1)—Pt(1)—P(1)—O(1)58.22 (15)O(2)—P(2)—C(20)—C(25)80.4 (3)
Cl(1)—Pt(1)—P(1)—C(1)58.24 (16)C(20)—P(2)—O(2)—C(26)60.0 (3)
Cl(1)—Pt(1)—P(1)—C(7)175.70 (19)C(14)—P(2)—C(20)—C(21)8.2 (4)
Cl(2)—Pt(1)—P(1)—O(1)108.8 (2)C(14)—P(2)—C(20)—C(25)174.9 (3)
Cl(2)—Pt(1)—P(1)—C(1)7.6 (3)C(20)—P(2)—C(14)—C(15)105.2 (4)
Cl(2)—Pt(1)—P(1)—C(7)125.1 (2)C(20)—P(2)—C(14)—C(19)80.9 (4)
Cl(2)—Pt(1)—P(2)—O(2)154.11 (14)P(1)—C(1)—C(2)—C(3)175.0 (3)
Cl(2)—Pt(1)—P(2)—C(14)90.27 (17)P(1)—C(1)—C(6)—C(5)174.2 (3)
Cl(2)—Pt(1)—P(2)—C(20)33.70 (17)C(2)—C(1)—C(6)—C(5)0.2 (6)
P(1)—Pt(1)—P(2)—O(2)34.03 (14)C(6)—C(1)—C(2)—C(3)0.9 (7)
P(1)—Pt(1)—P(2)—C(14)81.59 (17)C(1)—C(2)—C(3)—C(4)0.3 (6)
P(1)—Pt(1)—P(2)—C(20)154.44 (17)C(2)—C(3)—C(4)—C(5)1.2 (8)
P(2)—Pt(1)—P(1)—O(1)118.04 (15)C(3)—C(4)—C(5)—C(6)1.9 (7)
P(2)—Pt(1)—P(1)—C(1)125.50 (16)C(4)—C(5)—C(6)—C(1)1.2 (7)
P(2)—Pt(1)—P(1)—C(7)8.04 (19)P(1)—C(7)—C(8)—C(9)177.3 (3)
Pt(1)—P(1)—O(1)—C(13)30.6 (3)P(1)—C(7)—C(12)—C(11)176.5 (3)
Pt(1)—P(1)—C(1)—C(2)155.6 (3)C(8)—C(7)—C(12)—C(11)0.2 (5)
Pt(1)—P(1)—C(1)—C(6)30.4 (4)C(12)—C(7)—C(8)—C(9)0.6 (7)
Pt(1)—P(1)—C(7)—C(8)65.7 (4)C(7)—C(8)—C(9)—C(10)1.8 (7)
Pt(1)—P(1)—C(7)—C(12)117.6 (3)C(8)—C(9)—C(10)—C(11)2.2 (7)
O(1)—P(1)—C(1)—C(2)31.0 (4)C(9)—C(10)—C(11)—C(12)1.4 (7)
O(1)—P(1)—C(1)—C(6)155.0 (3)C(10)—C(11)—C(12)—C(7)0.2 (5)
C(1)—P(1)—O(1)—C(13)152.1 (3)P(2)—C(14)—C(15)—C(16)173.0 (3)
O(1)—P(1)—C(7)—C(8)162.6 (3)P(2)—C(14)—C(19)—C(18)173.4 (3)
O(1)—P(1)—C(7)—C(12)14.1 (4)C(15)—C(14)—C(19)—C(18)0.6 (7)
C(7)—P(1)—O(1)—C(13)103.8 (3)C(19)—C(14)—C(15)—C(16)1.0 (7)
C(1)—P(1)—C(7)—C(8)57.1 (4)C(14)—C(15)—C(16)—C(17)1.0 (7)
C(1)—P(1)—C(7)—C(12)119.6 (4)C(15)—C(16)—C(17)—C(18)0.6 (7)
C(7)—P(1)—C(1)—C(2)75.3 (4)C(16)—C(17)—C(18)—C(19)0.2 (6)
C(7)—P(1)—C(1)—C(6)98.7 (4)C(17)—C(18)—C(19)—C(14)0.2 (5)
Pt(1)—P(2)—O(2)—C(26)65.8 (3)P(2)—C(20)—C(21)—C(22)176.7 (3)
Pt(1)—P(2)—C(14)—C(15)22.1 (4)P(2)—C(20)—C(25)—C(24)175.6 (3)
Pt(1)—P(2)—C(14)—C(19)151.8 (3)C(21)—C(20)—C(25)—C(24)1.4 (7)
Pt(1)—P(2)—C(20)—C(21)135.8 (3)C(25)—C(20)—C(21)—C(22)0.2 (5)
Pt(1)—P(2)—C(20)—C(25)47.3 (4)C(20)—C(21)—C(22)—C(23)0.6 (7)
O(2)—P(2)—C(14)—C(15)147.4 (3)C(21)—C(22)—C(23)—C(24)0.2 (6)
O(2)—P(2)—C(14)—C(19)26.5 (4)C(22)—C(23)—C(24)—C(25)1.0 (7)
C(14)—P(2)—O(2)—C(26)170.7 (3)C(23)—C(24)—C(25)—C(20)1.8 (7)
O(2)—P(2)—C(20)—C(21)96.5 (4)
Symmetry codes: (i) x, y, z+2; (ii) x, y+1, z+2; (iii) x+1/2, y1/2, z+3/2; (iv) x+1, y, z+2; (v) x+1/2, y+1/2, z+3/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x1/2, y+1/2, z1/2; (viii) x1/2, y1/2, z+3/2; (ix) x+1, y+1, z+2; (x) x+1/2, y+1/2, z1/2; (xi) x+1, y, z; (xii) x1/2, y+1/2, z+1/2; (xiii) x1, y, z; (xiv) x1/2, y+1/2, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C10—H10···Cl1vi0.952.723.642 (6)165
C16—H16···Cl1i0.952.723.518 (5)143
C4—H4···Cg1iv0.952.883.692 (5)145
C19—H19···Cg2ii0.952.833.641 (4)144
Symmetry codes: (i) x, y, z+2; (ii) x, y+1, z+2; (iv) x+1, y, z+2; (vi) x+1/2, y+1/2, z+1/2.

Experimental details

Crystal data
Chemical formula[PtCl2(C13H13OP)2]
Mr698.43
Crystal system, space groupMonoclinic, P21/n
Temperature (K)125
a, b, c (Å)12.4262 (6), 13.6280 (7), 15.0494 (8)
β (°) 93.5316 (11)
V3)2543.7 (2)
Z4
Radiation typeMo Kα
µ (mm1)5.85
Crystal size (mm)0.25 × 0.15 × 0.12
Data collection
DiffractometerRigaku SCXmini
Absorption correctionMulti-scan
(ABSCOR; Higashi, 1995)
Tmin, Tmax0.377, 0.495
No. of measured, independent and
observed [F2 > 2σ(F2)] reflections
26133, 5827, 4910
Rint0.057
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.041, 0.062, 1.13
No. of reflections5827
No. of parameters299
No. of restraints?
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.99, 1.02

Computer programs: SCXmini Software (Rigaku/MSC, 2006), PROCESS-AUTO (Rigaku, 1998), PROCESS-AUTO, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), CrystalStructure (Rigaku/MSC, 2006), CrystalStructure.

Selected geometric parameters (Å, º) top
Pt1—Cl12.3693 (12)Pt1—P12.2272 (11)
Pt1—Cl22.3533 (12)Pt1—P22.2279 (12)
Cl1—Pt1—Cl289.37 (4)Cl1—Pt1—P2175.95 (4)
P1—Pt1—P298.14 (4)Cl2—Pt1—P1168.82 (4)
Cl1—Pt1—P183.49 (4)Cl2—Pt1—P289.56 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C10—H10···Cl1i0.952.723.642 (6)165
C16—H16···Cl1ii0.952.723.518 (5)143
C4—H4···Cg1iii0.952.883.692 (5)145
C19—H19···Cg2iv0.952.833.641 (4)144
Symmetry codes: (i) x+1/2, y+1/2, z+1/2; (ii) x, y, z+2; (iii) x+1, y, z+2; (iv) x, y+1, z+2.
 

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