cis-Tetra-chloridobis(1H-imidazole-κN(3))platinum(IV).

In the title complex, cis-[PtCl(4)(C(3)H(4)N(2))(2)], the Pt(IV) ion lies on a twofold rotation axis and is coordinated in a slightly distorted octa-hedral geometry. The dihedral angle between the imidazole rings is 69.9 (2)°. In the crystal, mol-ecules are linked by N-H⋯Cl hydrogen bonds, forming a three-dimensional network.

Related literature

For applications of platinum species bearing N-bonded heterocycles, see: Ravera et al. (2011 ▶); Esmaeilbeig et al. (2011 ▶); Al-Shuneigat et al. (2010 ▶); Wheate et al. (2007 ▶); van Zutphen et al. (2006 ▶); Fritsky et al. (2000 ▶); Krämer & Fritsky (2000 ▶). For the synthesis of platinum complexes with N-heterocyclic ligands, see: Bokach, Kuznetsov et al. (2011 ▶); Kritchenkov et al. (2011 ▶); Bokach, Balova et al. (2011 ▶); Tskhovrebov et al. (2009 ▶); Luzyanin et al. (2009 ▶); Bokach et al. (2009 ▶). For related structures, see: Khripun et al. (2006 ▶, 2007 ▶); Korte et al. (1981 ▶); Kuduk-Jaworska et al. (1988 ▶); Bayon et al. (1987 ▶); Yip et al. (1993 ▶); Chen et al. (2006 ▶); Gao et al. (2004 ▶); Garcia et al. (2000 ▶); Hao & Yu (2007 ▶); Huo et al. (2004 ▶). For bond-length data, see: Orpen et al. (1989 ▶).

Experimental

Crystal data

[PtCl4(C3H4N2)2]

M = 473.05

Monoclinic,

a = 7.7264 (4) Å

b = 11.8757 (6) Å

c = 12.9471 (5) Å

β = 93.332 (3)°

V = 1185.97 (10) Å3

Z = 4

Mo Kα radiation

μ = 12.70 mm−1

T = 120 K

0.15 × 0.13 × 0.07 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (DENZO/SCALEPACK; Otwinowski & Minor, 1997 ▶) T min = 0.193, T max = 0.411

7759 measured reflections

1362 independent reflections

1275 reflections with I > 2σ(I)

R int = 0.037

Refinement

R[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.037

S = 1.05

1362 reflections

70 parameters

H-atom parameters constrained

Δρmax = 0.68 e Å−3

Δρmin = −0.73 e Å−3

Data collection: COLLECT (Nonius, 2000 ▶); cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997 ▶); data reduction: DENZO/SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2008 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812013323/lh5433sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812013323/lh5433Isup2.hkl

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

[PtCl4(C3H4N2)2]	F(000) = 872
Mr = 473.05	Dx = 2.649 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 4469 reflections
a = 7.7264 (4) Å	θ = 1.0–27.5°
b = 11.8757 (6) Å	µ = 12.70 mm−1
c = 12.9471 (5) Å	T = 120 K
β = 93.332 (3)°	Plate, yellow
V = 1185.97 (10) Å3	0.15 × 0.13 × 0.07 mm
Z = 4

Nonius KappaCCD diffractometer	1362 independent reflections
Radiation source: fine-focus sealed tube	1275 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromator	Rint = 0.037
Detector resolution: 9 pixels mm-1	θmax = 27.5°, θmin = 3.2°
φ scans and ω scans with κ offset	h = −9→10
Absorption correction: multi-scan (DENZO/SCALEPACK; Otwinowski & Minor, 1997)	k = −15→15
Tmin = 0.193, Tmax = 0.411	l = −16→14
7759 measured reflections

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: mixed
wR(F2) = 0.037	H-atom parameters constrained
S = 1.05	w = 1/[σ2(Fo2) + (0.0108P)2 + 3.3813P] where P = (Fo2 + 2Fc2)/3
1362 reflections	(Δ/σ)max < 0.001
70 parameters	Δρmax = 0.68 e Å−3
0 restraints	Δρmin = −0.73 e Å−3

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	0.0000	0.132240 (14)	0.2500	0.01672 (7)
Cl1	0.07166 (12)	−0.00761 (7)	0.37001 (7)	0.02527 (19)
Cl2	−0.28465 (11)	0.13451 (7)	0.29654 (7)	0.02696 (19)
N1	0.0594 (4)	0.2545 (2)	0.3576 (2)	0.0184 (6)
N2	0.1812 (4)	0.3987 (3)	0.4316 (2)	0.0292 (7)
H2N	0.2549	0.4662	0.4359	0.044*
C1	0.1675 (5)	0.3389 (3)	0.3449 (3)	0.0265 (8)
H1	0.2259	0.3543	0.2838	0.032*
C2	0.0790 (5)	0.3503 (3)	0.5026 (3)	0.0274 (8)
H2	0.0644	0.3754	0.5712	0.033*
C3	0.0036 (5)	0.2603 (3)	0.4555 (3)	0.0266 (8)
H3	−0.0747	0.2097	0.4852	0.032*

	U11	U22	U33	U12	U13	U23
Pt1	0.01632 (10)	0.01756 (10)	0.01655 (10)	0.000	0.00311 (7)	0.000
Cl1	0.0301 (5)	0.0228 (4)	0.0226 (4)	−0.0022 (3)	−0.0010 (4)	0.0041 (3)
Cl2	0.0199 (4)	0.0313 (5)	0.0303 (5)	−0.0019 (3)	0.0074 (3)	0.0022 (4)
N1	0.0200 (15)	0.0182 (14)	0.0168 (14)	−0.0014 (11)	0.0002 (11)	−0.0001 (11)
N2	0.0340 (18)	0.0251 (15)	0.0287 (17)	−0.0063 (13)	0.0030 (14)	−0.0034 (13)
C1	0.028 (2)	0.0261 (18)	0.025 (2)	−0.0052 (15)	0.0041 (16)	−0.0030 (14)
C2	0.030 (2)	0.0280 (19)	0.0248 (19)	0.0004 (15)	0.0060 (16)	−0.0032 (15)
C3	0.028 (2)	0.0293 (19)	0.0236 (19)	0.0000 (15)	0.0072 (15)	−0.0002 (15)

Pt1—N1i	2.046 (3)	N2—C1	1.327 (5)
Pt1—N1	2.046 (3)	N2—C2	1.372 (5)
Pt1—Cl2i	2.3141 (8)	N2—H2N	0.9830
Pt1—Cl2	2.3141 (8)	C1—H1	0.9500
Pt1—Cl1	2.3193 (8)	C2—C3	1.347 (5)
Pt1—Cl1i	2.3193 (8)	C2—H2	0.9500
N1—C1	1.321 (4)	C3—H3	0.9500
N1—C3	1.364 (4)
N1i—Pt1—N1	89.55 (15)	C1—N1—C3	108.3 (3)
N1i—Pt1—Cl2i	89.63 (8)	C1—N1—Pt1	124.9 (2)
N1—Pt1—Cl2i	89.43 (8)	C3—N1—Pt1	126.7 (2)
N1i—Pt1—Cl2	89.43 (8)	C1—N2—C2	108.8 (3)
N1—Pt1—Cl2	89.63 (8)	C1—N2—H2N	120.1
Cl2i—Pt1—Cl2	178.67 (4)	C2—N2—H2N	131.1
N1i—Pt1—Cl1	178.88 (8)	N1—C1—N2	108.7 (3)
N1—Pt1—Cl1	90.97 (8)	N1—C1—H1	125.7
Cl2i—Pt1—Cl1	89.38 (3)	N2—C1—H1	125.7
Cl2—Pt1—Cl1	91.57 (3)	C3—C2—N2	106.3 (3)
N1i—Pt1—Cl1i	90.97 (8)	C3—C2—H2	126.9
N1—Pt1—Cl1i	178.88 (8)	N2—C2—H2	126.9
Cl2i—Pt1—Cl1i	91.57 (3)	C2—C3—N1	108.0 (3)
Cl2—Pt1—Cl1i	89.38 (3)	C2—C3—H3	126.0
Cl1—Pt1—Cl1i	88.54 (4)	N1—C3—H3	126.0

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2N···Cl1ii	0.98	2.66	3.355 (3)	128
N2—H2N···Cl2ii	0.98	2.70	3.320 (3)	122
N2—H2N···Cl1iii	0.98	2.82	3.368 (3)	116

Table 1

Selected bond lengths (Å)

Pt1—N1	2.046 (3)
Pt1—Cl2	2.3141 (8)
Pt1—Cl1	2.3193 (8)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2N⋯Cl1ii	0.98	2.66	3.355 (3)	128
N2—H2N⋯Cl2ii	0.98	2.70	3.320 (3)	122
N2—H2N⋯Cl1iii	0.98	2.82	3.368 (3)	116

Symmetry codes: (ii) ; (iii) .