Tetra-chlorido(4,4'-dimethyl-2,2'-bipyridine-κN,N')platinum(IV).

The asymmetric unit of the title compound, [PtCl(4)(C(12)H(12)N(2))], contains one half-mol-ecule; a twofold rotation axis passes through the Pt atom and the mid-point of the C-C bond linking the two rings. The Pt(IV) atom is six-coordinated in an octa-hedral configuration by two N atoms of the 4,4'-dimethyl-2,2'-bipyridine ligand and four terminal Cl atoms. In the crystal structure, there are weak π-π inter-actions between pyridine rings, with a centroid-centroid distance of 4.365 (3) Å.

Related literature

For related literature, see: Hedin (1886 ▶); Joergensen (1900 ▶); Bajusz et al. (1989 ▶); Vorobevdesyatovskii et al. (1991 ▶); Gaballa et al. (2003 ▶); Casas et al. (2005 ▶); Hambley (1986 ▶); Hafizovic et al. (2006 ▶); Delir Kheirollahi Nezhad et al. (2008 ▶); Crowder et al. (2004 ▶); Junicke et al. (1997 ▶); Khripun et al. (2006 ▶); Witkowski et al. (1997 ▶); Kuduk-Jaworska et al. (1988 ▶, 1990 ▶); Bokach et al. (2003 ▶); Kukushkin et al. (1998 ▶); Garnovskii et al. (2001 ▶); Luzyanin, Kukushkin et al. (2002 ▶); Gonzalez et al. (2002 ▶); Luzyanin, Haukka et al. (2002 ▶); Yousefi et al. (2007 ▶).

Experimental

Crystal data

[PtCl4(C12H12N2)]

M = 521.12

Orthorhombic,

a = 6.9497 (7) Å

b = 13.3774 (13) Å

c = 17.3195 (16) Å

V = 1610.2 (3) Å3

Z = 4

Mo Kα radiation

μ = 9.36 mm−1

T = 298 (2) K

0.25 × 0.23 × 0.21 mm

Data collection

Stoe IPDS II diffractometer

Absorption correction: numerical [shape of crystal determined optically (X-SHAPE and X-RED; Stoe & Cie, 2005 ▶)T min = 0.172, T max = 0.275

5803 measured reflections

2157 independent reflections

1779 reflections with I > 2σ(I)

R int = 0.049

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.097

S = 1.16

2157 reflections

87 parameters

H-atom parameters constrained

Δρmax = 0.95 e Å−3

Δρmin = −0.81 e Å−3

Data collection: X-AREA (Stoe & Cie, 2005 ▶); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2005 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808016796/hk2470sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808016796/hk2470Isup2.hkl

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

[PtCl4(C12H12N2)]	F000 = 976
Mr = 521.12	Dx = 2.150 Mg m−3
Orthorhombic, Pccn	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ab 2ac	Cell parameters from 1510 reflections
a = 6.9497 (7) Å	θ = 2.8–29.2º
b = 13.3774 (13) Å	µ = 9.36 mm−1
c = 17.3195 (16) Å	T = 298 (2) K
V = 1610.2 (3) Å3	Prism, yellow
Z = 4	0.25 × 0.23 × 0.21 mm

Stoe IPDS II diffractometer	2157 independent reflections
Radiation source: fine-focus sealed tube	1779 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.049
Detector resolution: 0.15 mm pixels mm-1	θmax = 29.2º
T = 298(2) K	θmin = 2.8º
rotation method scans	h = −6→9
Absorption correction: numericalshape of crystal determined optically	k = −18→17
Tmin = 0.172, Tmax = 0.275	l = −23→18
5803 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.038	H-atom parameters constrained
wR(F2) = 0.097	w = 1/[σ2(Fo2) + (0.0451P)2 + 3.1448P] where P = (Fo2 + 2Fc2)/3
S = 1.16	(Δ/σ)max = 0.007
2157 reflections	Δρmax = 0.96 e Å−3
87 parameters	Δρmin = −0.81 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

Experimental. (X-SHAPE and X-RED; Stoe & Cie, 2005)

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 > 2sigma(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	0.2500	0.2500	0.451996 (14)	0.02949 (11)
Cl1	0.0431 (2)	0.38548 (12)	0.45575 (10)	0.0500 (4)
Cl2	0.0689 (2)	0.17462 (12)	0.35700 (8)	0.0481 (3)
N1	0.4010 (6)	0.3087 (3)	0.5416 (2)	0.0316 (9)
C1	0.3349 (8)	0.2829 (4)	0.6127 (3)	0.0304 (10)
C2	0.4230 (8)	0.3185 (4)	0.6782 (3)	0.0381 (11)
H2	0.3744	0.3015	0.7265	0.046*
C3	0.5850 (8)	0.3801 (4)	0.6728 (3)	0.0399 (12)
C4	0.6800 (11)	0.4197 (6)	0.7439 (4)	0.0578 (18)
H4A	0.7228	0.3649	0.7753	0.069*
H4B	0.5898	0.4595	0.7725	0.069*
H4C	0.7884	0.4601	0.7296	0.069*
C5	0.6513 (9)	0.4028 (5)	0.5998 (4)	0.0472 (14)
H5	0.7597	0.4429	0.5942	0.057*
C6	0.5593 (9)	0.3668 (5)	0.5349 (3)	0.0424 (13)
H6	0.6065	0.3827	0.4862	0.051*

	U11	U22	U33	U12	U13	U23
Pt1	0.03027 (15)	0.03300 (16)	0.02522 (16)	−0.00577 (10)	0.000	0.000
Cl1	0.0429 (7)	0.0431 (8)	0.0638 (10)	0.0050 (6)	0.0091 (7)	0.0049 (6)
Cl2	0.0523 (8)	0.0592 (8)	0.0327 (6)	−0.0138 (7)	−0.0124 (6)	−0.0019 (6)
N1	0.031 (2)	0.035 (2)	0.0283 (19)	−0.0121 (18)	−0.0011 (16)	−0.0041 (16)
C1	0.031 (2)	0.036 (2)	0.024 (2)	−0.011 (2)	−0.0050 (19)	0.0000 (18)
C2	0.040 (3)	0.044 (3)	0.031 (2)	−0.007 (2)	−0.002 (2)	0.004 (2)
C3	0.035 (3)	0.039 (3)	0.046 (3)	−0.011 (2)	−0.007 (2)	−0.001 (2)
C4	0.054 (4)	0.070 (4)	0.049 (4)	−0.021 (4)	−0.018 (3)	−0.005 (3)
C5	0.036 (3)	0.053 (4)	0.053 (3)	−0.020 (3)	−0.006 (3)	−0.003 (3)
C6	0.040 (3)	0.052 (3)	0.035 (2)	−0.020 (3)	0.007 (2)	−0.001 (2)

Pt1—N1	2.031 (4)	C2—H2	0.9300
Pt1—N1i	2.031 (4)	C3—C5	1.380 (9)
Pt1—Cl2	2.3038 (13)	C3—C4	1.494 (8)
Pt1—Cl2i	2.3038 (13)	C4—H4A	0.9600
Pt1—Cl1i	2.3146 (16)	C4—H4B	0.9600
Pt1—Cl1	2.3146 (16)	C4—H4C	0.9600
C1—N1	1.359 (6)	C5—C6	1.379 (8)
C1—C2	1.374 (7)	C5—H5	0.9300
C1—C1i	1.472 (10)	C6—N1	1.352 (7)
C2—C3	1.398 (7)	C6—H6	0.9300
N1—Pt1—N1i	80.4 (2)	C3—C2—H2	119.7
N1—Pt1—Cl2	175.58 (12)	C5—C3—C2	117.4 (5)
N1i—Pt1—Cl2	95.40 (13)	C5—C3—C4	122.0 (5)
N1—Pt1—Cl2i	95.40 (13)	C2—C3—C4	120.6 (6)
N1i—Pt1—Cl2i	175.58 (12)	C3—C4—H4A	109.5
Cl2—Pt1—Cl2i	88.85 (8)	C3—C4—H4B	109.5
N1—Pt1—Cl1i	87.72 (14)	H4A—C4—H4B	109.5
N1i—Pt1—Cl1i	89.81 (14)	C3—C4—H4C	109.5
Cl2—Pt1—Cl1i	90.96 (6)	H4A—C4—H4C	109.5
Cl2i—Pt1—Cl1i	91.34 (6)	H4B—C4—H4C	109.5
N1—Pt1—Cl1	89.81 (14)	C6—C5—C3	121.0 (5)
N1i—Pt1—Cl1	87.72 (14)	C6—C5—H5	119.5
Cl2—Pt1—Cl1	91.34 (6)	C3—C5—H5	119.5
Cl2i—Pt1—Cl1	90.96 (6)	N1—C6—C5	120.6 (5)
Cl1i—Pt1—Cl1	176.78 (8)	N1—C6—H6	119.7
N1—C1—C2	120.6 (5)	C5—C6—H6	119.7
N1—C1—C1i	115.0 (3)	C6—N1—C1	119.9 (4)
C2—C1—C1i	124.4 (3)	C6—N1—Pt1	125.3 (3)
C1—C2—C3	120.5 (5)	C1—N1—Pt1	114.8 (3)
C1—C2—H2	119.7
N1—C1—C2—C3	−1.5 (9)	C1i—C1—N1—C6	−178.3 (6)
C1i—C1—C2—C3	179.4 (7)	C2—C1—N1—Pt1	−179.3 (4)
C1—C2—C3—C5	−0.1 (9)	C1i—C1—N1—Pt1	−0.1 (8)
C1—C2—C3—C4	179.4 (6)	N1i—Pt1—N1—C6	178.1 (6)
C2—C3—C5—C6	0.7 (10)	Cl1i—Pt1—N1—C6	87.9 (5)
C4—C3—C5—C6	−178.8 (7)	Cl1—Pt1—N1—C6	−94.2 (5)
C3—C5—C6—N1	0.3 (10)	N1i—Pt1—N1—C1	0.0 (3)
C5—C6—N1—C1	−2.0 (9)	Cl2i—Pt1—N1—C1	178.7 (4)
C5—C6—N1—Pt1	−179.9 (5)	Cl1i—Pt1—N1—C1	−90.2 (4)
C2—C1—N1—C6	2.6 (9)	Cl1—Pt1—N1—C1	87.8 (4)

Pt1—N1	2.031 (4)
Pt1—Cl2	2.3038 (13)
Pt1—Cl1	2.3146 (16)

N1—Pt1—N1i	80.4 (2)
N1—Pt1—Cl2	175.58 (12)
N1—Pt1—Cl2i	95.40 (13)
Cl2—Pt1—Cl2i	88.85 (8)
N1—Pt1—Cl1i	87.72 (14)
Cl2—Pt1—Cl1i	90.96 (6)
N1—Pt1—Cl1	89.81 (14)
Cl2—Pt1—Cl1	91.34 (6)
Cl1i—Pt1—Cl1	176.78 (8)

Symmetry code: (i) .