trans-Dichloridobis[tris-(4-meth-oxy-lphen-yl)phosphane-κP]platinum(II) acetone disolvate.

In the title compound, [PtCl2(C21H21O3P)2]·2C3H6O, the asymmetric unit contains a Pt(II) ion situated on an inversion center, one chloride anion, one tris-(4-meth-oxy-lphen-yl)phosphane (L) ligand and one acetone solvent mol-ecule. The Pt(II) ion is coordinated by two P atoms [Pt-P = 2.3196 (5) Å] from two L ligands and two chloride anions [Pt-Cl = 2.3075 (5) Å] in a distorted square-planar geometry with P-Pt-Cl angles of 88.016 (16) and 91.984 (16)°. The effective cone angle of the phosphane ligand was calculated to be 156°. Weak C-H⋯O and C-H⋯Cl hydrogen bonds hold mol-ecules together.

Related literature

For related compounds, see: Spessard & Miessler (1996 ▶); van Blerk & Holzapfel (2009 ▶); Muller & Meijboom (2010 ▶). For background to cone angles, see: Tolman (1977 ▶); Otto (2001 ▶).

Experimental

Crystal data

[PtCl2(C21H21O3P)2]·2C3H6O

M = 1086.84

Triclinic,

a = 10.486 (1) Å

b = 11.0360 (11) Å

c = 11.3630 (11) Å

α = 85.787 (2)°

β = 63.924 (2)°

γ = 78.370 (2)°

V = 1156.70 (19) Å3

Z = 1

Mo Kα radiation

μ = 3.27 mm−1

T = 100 K

0.19 × 0.13 × 0.11 mm

Data collection

Bruker APEX DUO 4K CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2008 ▶) T min = 0.679, T max = 0.746

31470 measured reflections

5799 independent reflections

5763 reflections with I > 2σ(I)

R int = 0.042

Refinement

R[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.040

S = 1.04

5799 reflections

282 parameters

H-atom parameters constrained

Δρmax = 0.68 e Å−3

Δρmin = −0.51 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: publCIF (Westrip, 2010 ▶) and WinGX (Farrugia, 2012 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812045643/cv5352sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812045643/cv5352Isup2.hkl

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

[PtCl2(C21H21O3P)2]·2C3H6O	Z = 1
Mr = 1086.84	F(000) = 548
Triclinic, P1	Dx = 1.56 Mg m−3
a = 10.486 (1) Å	Mo Kα radiation, λ = 0.71069 Å
b = 11.0360 (11) Å	Cell parameters from 9903 reflections
c = 11.3630 (11) Å	θ = 2.2–32.7°
α = 85.787 (2)°	µ = 3.27 mm−1
β = 63.924 (2)°	T = 100 K
γ = 78.370 (2)°	Rectangle, colourless
V = 1156.70 (19) Å3	0.19 × 0.13 × 0.11 mm

Bruker APEX DUO 4K CCD diffractometer	5799 independent reflections
Graphite monochromator	5763 reflections with I > 2σ(I)
Detector resolution: 8.4 pixels mm-1	Rint = 0.042
φ and ω scans	θmax = 28.4°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −13→14
Tmin = 0.679, Tmax = 0.746	k = −14→14
31470 measured reflections	l = −15→15

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)] = 0.019	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.040	H-atom parameters constrained
S = 1.04	w = 1/[σ2(Fo2) + (0.016P)2 + 0.4415P] where P = (Fo2 + 2Fc2)/3
5799 reflections	(Δ/σ)max = 0.001
282 parameters	Δρmax = 0.68 e Å−3
0 restraints	Δρmin = −0.51 e Å−3

Experimental. The intensity data was collected on a Bruker Apex DUO 4 K CCD diffractometer using an exposure time of 20 s/frame. A total of 2352 frames were collected with a frame width of 0.5° covering up to θ = 28.66° with 99.3% completeness accomplished.

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
Pt1	0.5	0.5	0.5	0.00927 (3)
Cl1	0.52266 (5)	0.28766 (4)	0.49934 (4)	0.01424 (9)
P1	0.49557 (5)	0.49994 (4)	0.29769 (5)	0.01069 (9)
O2	0.31108 (15)	0.97824 (13)	0.08244 (15)	0.0210 (3)
O3	0.06877 (15)	0.21272 (14)	0.30254 (14)	0.0212 (3)
O1	1.08770 (15)	0.32059 (15)	−0.12406 (14)	0.0225 (3)
O1S	0.08106 (17)	0.10043 (16)	0.63614 (17)	0.0353 (4)
C20	0.4006 (2)	0.32915 (18)	0.19434 (19)	0.0146 (4)
H20	0.4908	0.3216	0.1189	0.017*
C6	0.7760 (2)	0.35873 (19)	0.1910 (2)	0.0190 (4)
H6	0.7519	0.3277	0.2769	0.023*
C19	0.2972 (2)	0.26563 (18)	0.1987 (2)	0.0174 (4)
H19	0.3177	0.2136	0.1272	0.021*
C18	0.1634 (2)	0.27795 (18)	0.3078 (2)	0.0153 (4)
C5	0.9129 (2)	0.3196 (2)	0.0926 (2)	0.0220 (5)
H5	0.9821	0.2622	0.1112	0.026*
C17	0.1346 (2)	0.35162 (18)	0.4140 (2)	0.0160 (4)
H17	0.0441	0.3598	0.4891	0.019*
C1	0.67224 (19)	0.44348 (17)	0.16598 (18)	0.0128 (4)
C8	0.43388 (19)	0.64708 (17)	0.23846 (18)	0.0123 (4)
C3	0.8488 (2)	0.44858 (19)	−0.06024 (19)	0.0165 (4)
H3	0.8737	0.4804	−0.1459	0.02*
C15	0.37324 (19)	0.40419 (17)	0.29972 (18)	0.0124 (4)
C12	0.4759 (2)	0.84717 (19)	0.14382 (19)	0.0171 (4)
H12	0.5356	0.9077	0.1135	0.02*
C11	0.3432 (2)	0.86913 (18)	0.13752 (19)	0.0149 (4)
C16	0.2402 (2)	0.41291 (18)	0.40867 (19)	0.0141 (4)
H16	0.221	0.4624	0.4817	0.017*
C10	0.2547 (2)	0.78264 (19)	0.1844 (2)	0.0183 (4)
H10	0.1631	0.7982	0.1827	0.022*
C7	1.1264 (2)	0.3620 (2)	−0.2550 (2)	0.0215 (4)
H7A	1.0643	0.3361	−0.2886	0.032*
H7B	1.2276	0.326	−0.3104	0.032*
H7C	1.1137	0.4525	−0.2561	0.032*
C4	0.9497 (2)	0.36409 (18)	−0.03364 (19)	0.0158 (4)
C1S	0.2096 (2)	0.0584 (2)	0.5897 (2)	0.0253 (5)
C9	0.3009 (2)	0.67246 (18)	0.2342 (2)	0.0164 (4)
H9	0.2397	0.613	0.2661	0.02*
C14	0.1812 (2)	0.9985 (2)	0.0649 (2)	0.0245 (5)
H14A	0.1845	0.9306	0.0121	0.037*
H14B	0.1726	1.0769	0.0201	0.037*
H14C	0.0975	1.002	0.1507	0.037*
C2	0.7115 (2)	0.48623 (19)	0.03891 (19)	0.0165 (4)
H2	0.6423	0.5428	0.0196	0.02*
C13	0.5205 (2)	0.73802 (18)	0.19384 (19)	0.0151 (4)
H13	0.6107	0.7241	0.1982	0.018*
C21	−0.0678 (2)	0.2190 (2)	0.4155 (2)	0.0253 (5)
H21A	−0.0516	0.1871	0.4915	0.038*
H21B	−0.126	0.169	0.3992	0.038*
H21C	−0.119	0.3052	0.4327	0.038*
C2S	0.2949 (3)	0.0285 (2)	0.4466 (2)	0.0388 (7)
H2S1	0.2289	0.0343	0.4057	0.058*
H2S2	0.3517	−0.0557	0.4346	0.058*
H2S3	0.3602	0.0873	0.4056	0.058*
C3S	0.2896 (3)	0.0339 (2)	0.6725 (3)	0.0385 (6)
H3S1	0.2234	0.0597	0.7632	0.058*
H3S2	0.3685	0.0805	0.6393	0.058*
H3S3	0.3295	−0.0548	0.6693	0.058*

	U11	U22	U33	U12	U13	U23
Pt1	0.00961 (5)	0.00951 (5)	0.00805 (5)	−0.00186 (3)	−0.00334 (4)	0.00087 (4)
Cl1	0.0185 (2)	0.0105 (2)	0.0130 (2)	−0.00282 (17)	−0.00628 (18)	0.00104 (17)
P1	0.0110 (2)	0.0113 (2)	0.0095 (2)	−0.00231 (18)	−0.00417 (18)	0.00079 (18)
O2	0.0229 (7)	0.0151 (7)	0.0244 (8)	−0.0027 (6)	−0.0113 (6)	0.0078 (6)
O3	0.0204 (7)	0.0245 (8)	0.0227 (8)	−0.0114 (6)	−0.0098 (6)	−0.0001 (6)
O1	0.0129 (7)	0.0352 (9)	0.0120 (7)	0.0017 (6)	−0.0010 (6)	−0.0017 (6)
O1S	0.0215 (8)	0.0367 (10)	0.0382 (10)	−0.0019 (7)	−0.0049 (8)	−0.0059 (8)
C20	0.0154 (9)	0.0151 (10)	0.0121 (9)	−0.0033 (7)	−0.0050 (8)	0.0009 (7)
C6	0.0204 (10)	0.0200 (11)	0.0131 (10)	0.0004 (8)	−0.0062 (8)	0.0029 (8)
C19	0.0227 (10)	0.0158 (10)	0.0157 (10)	−0.0039 (8)	−0.0097 (8)	−0.0013 (8)
C18	0.0174 (9)	0.0133 (9)	0.0196 (10)	−0.0060 (7)	−0.0113 (8)	0.0048 (8)
C5	0.0180 (10)	0.0261 (12)	0.0160 (10)	0.0057 (8)	−0.0062 (8)	0.0004 (9)
C17	0.0145 (9)	0.0168 (10)	0.0165 (10)	−0.0039 (7)	−0.0065 (8)	0.0018 (8)
C1	0.0114 (8)	0.0132 (9)	0.0135 (9)	−0.0038 (7)	−0.0043 (7)	−0.0004 (7)
C8	0.0136 (9)	0.0129 (9)	0.0097 (9)	−0.0014 (7)	−0.0048 (7)	0.0007 (7)
C3	0.0174 (9)	0.0199 (10)	0.0092 (9)	−0.0028 (8)	−0.0034 (8)	0.0004 (8)
C15	0.0131 (8)	0.0116 (9)	0.0133 (9)	−0.0029 (7)	−0.0066 (7)	0.0024 (7)
C12	0.0192 (10)	0.0166 (10)	0.0160 (10)	−0.0074 (8)	−0.0070 (8)	0.0026 (8)
C11	0.0179 (9)	0.0131 (9)	0.0112 (9)	−0.0006 (7)	−0.0050 (8)	0.0004 (7)
C16	0.0160 (9)	0.0140 (9)	0.0125 (9)	−0.0027 (7)	−0.0062 (8)	−0.0002 (7)
C10	0.0152 (9)	0.0177 (10)	0.0228 (11)	−0.0028 (8)	−0.0098 (8)	0.0040 (8)
C7	0.0166 (10)	0.0268 (12)	0.0142 (10)	−0.0046 (8)	0.0001 (8)	−0.0028 (9)
C4	0.0121 (9)	0.0187 (10)	0.0141 (10)	−0.0024 (7)	−0.0030 (8)	−0.0037 (8)
C1S	0.0250 (11)	0.0141 (10)	0.0307 (13)	−0.0049 (9)	−0.0064 (10)	0.0028 (9)
C9	0.0158 (9)	0.0147 (10)	0.0182 (10)	−0.0055 (8)	−0.0065 (8)	0.0043 (8)
C14	0.0261 (11)	0.0195 (11)	0.0297 (12)	0.0009 (9)	−0.0167 (10)	0.0052 (9)
C2	0.0147 (9)	0.0192 (10)	0.0144 (10)	−0.0003 (8)	−0.0064 (8)	0.0008 (8)
C13	0.0156 (9)	0.0166 (10)	0.0133 (9)	−0.0043 (8)	−0.0060 (8)	0.0003 (8)
C21	0.0204 (10)	0.0275 (12)	0.0306 (13)	−0.0112 (9)	−0.0108 (10)	0.0027 (10)
C2S	0.0381 (14)	0.0278 (14)	0.0300 (14)	0.0102 (11)	−0.0042 (11)	0.0084 (11)
C3S	0.0387 (14)	0.0326 (14)	0.0456 (16)	−0.0033 (11)	−0.0208 (13)	−0.0010 (12)

Pt1—Cl1i	2.3075 (5)	C3—C4	1.386 (3)
Pt1—Cl1	2.3075 (5)	C3—H3	0.95
Pt1—P1	2.3196 (5)	C15—C16	1.390 (3)
Pt1—P1i	2.3197 (5)	C12—C13	1.378 (3)
P1—C15	1.8110 (19)	C12—C11	1.396 (3)
P1—C1	1.8151 (19)	C12—H12	0.95
P1—C8	1.8185 (19)	C11—C10	1.380 (3)
O2—C11	1.366 (2)	C16—H16	0.95
O2—C14	1.433 (2)	C10—C9	1.391 (3)
O3—C18	1.361 (2)	C10—H10	0.95
O3—C21	1.435 (3)	C7—H7A	0.98
O1—C4	1.366 (2)	C7—H7B	0.98
O1—C7	1.426 (2)	C7—H7C	0.98
O1S—C1S	1.212 (3)	C1S—C3S	1.492 (3)
C20—C19	1.386 (3)	C1S—C2S	1.495 (3)
C20—C15	1.397 (3)	C9—H9	0.95
C20—H20	0.95	C14—H14A	0.98
C6—C5	1.381 (3)	C14—H14B	0.98
C6—C1	1.401 (3)	C14—H14C	0.98
C6—H6	0.95	C2—H2	0.95
C19—C18	1.394 (3)	C13—H13	0.95
C19—H19	0.95	C21—H21A	0.98
C18—C17	1.391 (3)	C21—H21B	0.98
C5—C4	1.390 (3)	C21—H21C	0.98
C5—H5	0.95	C2S—H2S1	0.98
C17—C16	1.387 (3)	C2S—H2S2	0.98
C17—H17	0.95	C2S—H2S3	0.98
C1—C2	1.390 (3)	C3S—H3S1	0.98
C8—C9	1.388 (3)	C3S—H3S2	0.98
C8—C13	1.406 (3)	C3S—H3S3	0.98
C3—C2	1.384 (3)
Cl1i—Pt1—Cl1	180.0000 (10)	C17—C16—C15	122.03 (18)
Cl1i—Pt1—P1	91.984 (16)	C17—C16—H16	119
Cl1—Pt1—P1	88.016 (16)	C15—C16—H16	119
Cl1i—Pt1—P1i	88.016 (16)	C11—C10—C9	119.42 (18)
Cl1—Pt1—P1i	91.984 (16)	C11—C10—H10	120.3
P1—Pt1—P1i	180	C9—C10—H10	120.3
C15—P1—C1	107.86 (9)	O1—C7—H7A	109.5
C15—P1—C8	103.27 (8)	O1—C7—H7B	109.5
C1—P1—C8	103.77 (9)	H7A—C7—H7B	109.5
C15—P1—Pt1	110.80 (6)	O1—C7—H7C	109.5
C1—P1—Pt1	112.70 (6)	H7A—C7—H7C	109.5
C8—P1—Pt1	117.60 (6)	H7B—C7—H7C	109.5
C11—O2—C14	116.83 (16)	O1—C4—C3	124.33 (18)
C18—O3—C21	117.38 (16)	O1—C4—C5	115.86 (17)
C4—O1—C7	116.81 (15)	C3—C4—C5	119.80 (18)
C19—C20—C15	120.62 (18)	O1S—C1S—C3S	121.7 (2)
C19—C20—H20	119.7	O1S—C1S—C2S	121.3 (2)
C15—C20—H20	119.7	C3S—C1S—C2S	117.0 (2)
C5—C6—C1	120.95 (18)	C8—C9—C10	121.71 (18)
C5—C6—H6	119.5	C8—C9—H9	119.1
C1—C6—H6	119.5	C10—C9—H9	119.1
C20—C19—C18	120.17 (18)	O2—C14—H14A	109.5
C20—C19—H19	119.9	O2—C14—H14B	109.5
C18—C19—H19	119.9	H14A—C14—H14B	109.5
O3—C18—C17	124.15 (18)	O2—C14—H14C	109.5
O3—C18—C19	115.85 (18)	H14A—C14—H14C	109.5
C17—C18—C19	119.99 (18)	H14B—C14—H14C	109.5
C6—C5—C4	120.14 (18)	C3—C2—C1	121.79 (17)
C6—C5—H5	119.9	C3—C2—H2	119.1
C4—C5—H5	119.9	C1—C2—H2	119.1
C16—C17—C18	118.99 (18)	C12—C13—C8	120.71 (17)
C16—C17—H17	120.5	C12—C13—H13	119.6
C18—C17—H17	120.5	C8—C13—H13	119.6
C2—C1—C6	117.78 (17)	O3—C21—H21A	109.5
C2—C1—P1	121.60 (14)	O3—C21—H21B	109.5
C6—C1—P1	120.56 (15)	H21A—C21—H21B	109.5
C9—C8—C13	117.93 (17)	O3—C21—H21C	109.5
C9—C8—P1	121.10 (14)	H21A—C21—H21C	109.5
C13—C8—P1	120.97 (14)	H21B—C21—H21C	109.5
C2—C3—C4	119.52 (18)	C1S—C2S—H2S1	109.5
C2—C3—H3	120.2	C1S—C2S—H2S2	109.5
C4—C3—H3	120.2	H2S1—C2S—H2S2	109.5
C16—C15—C20	118.19 (17)	C1S—C2S—H2S3	109.5
C16—C15—P1	117.96 (14)	H2S1—C2S—H2S3	109.5
C20—C15—P1	123.68 (15)	H2S2—C2S—H2S3	109.5
C13—C12—C11	120.23 (18)	C1S—C3S—H3S1	109.5
C13—C12—H12	119.9	C1S—C3S—H3S2	109.5
C11—C12—H12	119.9	H3S1—C3S—H3S2	109.5
O2—C11—C10	124.34 (17)	C1S—C3S—H3S3	109.5
O2—C11—C12	115.70 (17)	H3S1—C3S—H3S3	109.5
C10—C11—C12	119.96 (18)	H3S2—C3S—H3S3	109.5
Cl1i—Pt1—P1—C15	−133.32 (7)	C1—P1—C15—C16	166.68 (14)
Cl1—Pt1—P1—C15	46.68 (7)	C8—P1—C15—C16	−83.88 (16)
Cl1i—Pt1—P1—C1	105.72 (7)	Pt1—P1—C15—C16	42.91 (16)
Cl1—Pt1—P1—C1	−74.28 (7)	C1—P1—C15—C20	−18.18 (18)
Cl1i—Pt1—P1—C8	−14.92 (7)	C8—P1—C15—C20	91.26 (17)
Cl1—Pt1—P1—C8	165.08 (7)	Pt1—P1—C15—C20	−141.95 (14)
C15—C20—C19—C18	1.2 (3)	C14—O2—C11—C10	−4.5 (3)
C21—O3—C18—C17	−1.4 (3)	C14—O2—C11—C12	175.03 (18)
C21—O3—C18—C19	177.40 (17)	C13—C12—C11—O2	−177.95 (18)
C20—C19—C18—O3	179.52 (17)	C13—C12—C11—C10	1.6 (3)
C20—C19—C18—C17	−1.6 (3)	C18—C17—C16—C15	0.8 (3)
C1—C6—C5—C4	−0.1 (3)	C20—C15—C16—C17	−1.2 (3)
O3—C18—C17—C16	179.38 (17)	P1—C15—C16—C17	174.19 (15)
C19—C18—C17—C16	0.6 (3)	O2—C11—C10—C9	177.62 (19)
C5—C6—C1—C2	0.3 (3)	C12—C11—C10—C9	−1.8 (3)
C5—C6—C1—P1	−176.99 (17)	C7—O1—C4—C3	−2.8 (3)
C15—P1—C1—C2	88.16 (17)	C7—O1—C4—C5	178.13 (18)
C8—P1—C1—C2	−20.94 (18)	C2—C3—C4—O1	179.84 (19)
Pt1—P1—C1—C2	−149.22 (14)	C2—C3—C4—C5	−1.1 (3)
C15—P1—C1—C6	−94.64 (17)	C6—C5—C4—O1	179.66 (19)
C8—P1—C1—C6	156.27 (16)	C6—C5—C4—C3	0.5 (3)
Pt1—P1—C1—C6	27.99 (18)	C13—C8—C9—C10	1.7 (3)
C15—P1—C8—C9	14.06 (18)	P1—C8—C9—C10	−177.47 (16)
C1—P1—C8—C9	126.52 (16)	C11—C10—C9—C8	0.2 (3)
Pt1—P1—C8—C9	−108.28 (16)	C4—C3—C2—C1	1.3 (3)
C15—P1—C8—C13	−165.06 (16)	C6—C1—C2—C3	−0.9 (3)
C1—P1—C8—C13	−52.59 (17)	P1—C1—C2—C3	176.36 (16)
Pt1—P1—C8—C13	72.60 (17)	C11—C12—C13—C8	0.4 (3)
C19—C20—C15—C16	0.2 (3)	C9—C8—C13—C12	−2.0 (3)
C19—C20—C15—P1	−174.93 (15)	P1—C8—C13—C12	177.19 (15)

D—H···A	D—H	H···A	D···A	D—H···A
C6—H6···Cl1	0.95	2.7	3.493 (2)	142
C10—H10···O1Sii	0.95	2.57	3.235 (3)	127
C12—H12···O2iii	0.95	2.53	3.357 (2)	146

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C6—H6⋯Cl1	0.95	2.7	3.493 (2)	142
C10—H10⋯O1S i	0.95	2.57	3.235 (3)	127
C12—H12⋯O2ii	0.95	2.53	3.357 (2)	146

Symmetry codes: (i) ; (ii) .