cis-Dichloridobis(N,N,N',N'-tetra-methyl-ethane-1,2-diamine)-platinum(II).

In the title complex, [PtCl2(C6H16N2)], the Pt(II) atom adopts a distorted cis-PtN2Cl2 square-planar coordination geometry. The five-membered chelate ring adopts a twisted conformation. In the crystal, weak C-H⋯Cl hydrogen bonds link the mol-ecules into (001) sheets.

Related literature

For related structures, see: Abellán-López et al. (2012 ▶); Boyle et al. (2004 ▶).

Experimental

Crystal data

[PtCl2(C6H16N2)]

M = 382.20

Monoclinic,

a = 11.8893 (2) Å

b = 6.0207 (1) Å

c = 15.8036 (3) Å

β = 110.549 (2)°

V = 1059.27 (3) Å3

Z = 4

Cu Kα radiation

μ = 28.99 mm−1

T = 296 K

0.22 × 0.21 × 0.07 mm

Data collection

Agilent SuperNova (Dual, Cu at zero, Atlas, CCD) diffractometer

Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012 ▶) T min = 0.149, T max = 1.000

6899 measured reflections

2091 independent reflections

2067 reflections with I > 2σ(I)

R int = 0.047

Refinement

R[F 2 > 2σ(F 2)] = 0.044

wR(F 2) = 0.116

S = 1.03

2091 reflections

105 parameters

2 restraints

H-atom parameters constrained

Δρmax = 1.83 e Å−3

Δρmin = −2.02 e Å−3

Absolute structure: Flack (1983 ▶), 1005 Friedel pairs

Flack parameter: −0.02 (2)

Data collection: CrysAlis PRO (Agilent, 2012 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: WinGX (Farrugia, 2012 ▶) and X-SEED (Barbour, 2001 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812048295/hb7001sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812048295/hb7001Isup2.hkl

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

[PtCl2(C6H16N2)]	F(000) = 712
Mr = 382.20	Dx = 2.397 Mg m−3
Monoclinic, Ia	Cu Kα radiation, λ = 1.54184 Å
Hall symbol: I -2ya	Cell parameters from 6609 reflections
a = 11.8893 (2) Å	θ = 4.0–74.3°
b = 6.0207 (1) Å	µ = 28.99 mm−1
c = 15.8036 (3) Å	T = 296 K
β = 110.549 (2)°	Cut needle, yellow
V = 1059.27 (3) Å3	0.22 × 0.21 × 0.07 mm
Z = 4

Agilent SuperNova (Dual, Cu at zero, Atlas, CCD) diffractometer	2091 independent reflections
Radiation source: SuperNova (Cu) X-ray Source	2067 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.047
ω scans	θmax = 74.5°, θmin = 8.0°
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012)	h = −14→14
Tmin = 0.149, Tmax = 1.000	k = −6→7
6899 measured reflections	l = −19→19

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.044	w = 1/[σ2(Fo2) + (0.1007P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.116	(Δ/σ)max < 0.001
S = 1.03	Δρmax = 1.83 e Å−3
2091 reflections	Δρmin = −2.02 e Å−3
105 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
2 restraints	Extinction coefficient: 0.00105 (13)
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack (1983), 1005 Friedel pairs
Secondary atom site location: difference Fourier map	Flack parameter: −0.02 (2)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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	0.5018 (3)	0.74348 (4)	0.3050 (2)	0.0267 (2)
Cl1	0.4170 (2)	0.9830 (3)	0.37829 (16)	0.0534 (5)
Cl2	0.3628 (2)	0.8443 (5)	0.16737 (16)	0.0595 (6)
N1	0.6301 (5)	0.6421 (11)	0.4255 (3)	0.0315 (11)
N2	0.5876 (5)	0.5269 (10)	0.2453 (3)	0.0354 (12)
C1	0.5722 (6)	0.5088 (14)	0.4782 (4)	0.0471 (19)
H1A	0.6327	0.4523	0.5318	0.071*
H1B	0.5291	0.3870	0.4420	0.071*
H1C	0.5174	0.6009	0.4949	0.071*
C2	0.6976 (8)	0.828 (2)	0.4835 (5)	0.0472 (18)
H2A	0.6438	0.9147	0.5034	0.071*
H2B	0.7320	0.9203	0.4494	0.071*
H2C	0.7604	0.7687	0.5351	0.071*
C3	0.7209 (7)	0.5022 (14)	0.4027 (4)	0.0481 (18)
H3A	0.7820	0.5970	0.3941	0.058*
H3B	0.7599	0.4007	0.4519	0.058*
C4	0.6581 (7)	0.3734 (14)	0.3176 (5)	0.0483 (16)
H4A	0.7168	0.2957	0.2988	0.058*
H4B	0.6051	0.2640	0.3288	0.058*
C5	0.6643 (9)	0.6529 (18)	0.2053 (6)	0.058 (2)
H5A	0.7253	0.7315	0.2522	0.087*
H5B	0.6157	0.7570	0.1618	0.087*
H5C	0.7014	0.5516	0.1762	0.087*
C6	0.5055 (10)	0.3861 (19)	0.1728 (7)	0.073 (3)
H6A	0.5513	0.2764	0.1549	0.109*
H6B	0.4627	0.4771	0.1218	0.109*
H6C	0.4493	0.3136	0.1948	0.109*

	U11	U22	U33	U12	U13	U23
Pt1	0.0225 (3)	0.0267 (3)	0.0262 (3)	−0.0006 (2)	0.00272 (17)	0.00193 (19)
Cl1	0.0403 (8)	0.0435 (11)	0.0769 (11)	0.0024 (7)	0.0214 (8)	−0.0180 (9)
Cl2	0.0491 (9)	0.0623 (17)	0.0450 (8)	0.0031 (10)	−0.0111 (6)	0.0197 (10)
N1	0.027 (2)	0.042 (4)	0.020 (2)	−0.002 (2)	0.001 (2)	0.002 (2)
N2	0.036 (2)	0.039 (3)	0.033 (2)	0.005 (2)	0.014 (2)	−0.001 (2)
C1	0.045 (4)	0.056 (5)	0.033 (3)	−0.009 (3)	0.005 (3)	0.013 (3)
C2	0.044 (4)	0.056 (6)	0.033 (4)	−0.025 (4)	0.003 (3)	−0.013 (4)
C3	0.038 (3)	0.061 (5)	0.036 (3)	0.019 (3)	0.002 (3)	0.003 (3)
C4	0.046 (4)	0.046 (4)	0.050 (4)	0.018 (3)	0.014 (3)	0.005 (3)
C5	0.068 (5)	0.064 (7)	0.057 (4)	0.005 (5)	0.040 (4)	0.010 (4)
C6	0.079 (6)	0.069 (7)	0.065 (5)	0.000 (5)	0.019 (4)	−0.037 (5)

Pt1—N1	2.071 (7)	C2—H2B	0.9600
Pt1—N2	2.076 (6)	C2—H2C	0.9600
Pt1—Cl1	2.292 (4)	C3—C4	1.504 (11)
Pt1—Cl2	2.304 (5)	C3—H3A	0.9700
N1—C1	1.488 (7)	C3—H3B	0.9700
N1—C2	1.490 (10)	C4—H4A	0.9700
N1—C3	1.510 (8)	C4—H4B	0.9700
N2—C4	1.480 (9)	C5—H5A	0.9600
N2—C5	1.486 (9)	C5—H5B	0.9600
N2—C6	1.483 (10)	C5—H5C	0.9600
C1—H1A	0.9600	C6—H6A	0.9600
C1—H1B	0.9600	C6—H6B	0.9600
C1—H1C	0.9600	C6—H6C	0.9600
C2—H2A	0.9600
N1—Pt1—N2	84.9 (3)	N1—C2—H2C	109.5
N1—Pt1—Cl1	91.9 (2)	H2A—C2—H2C	109.5
N2—Pt1—Cl1	176.7 (3)	H2B—C2—H2C	109.5
N1—Pt1—Cl2	177.2 (2)	C4—C3—N1	109.2 (5)
N2—Pt1—Cl2	92.3 (2)	C4—C3—H3A	109.8
Cl1—Pt1—Cl2	90.83 (16)	N1—C3—H3A	109.8
C1—N1—C2	108.4 (5)	C4—C3—H3B	109.8
C1—N1—C3	110.1 (6)	N1—C3—H3B	109.8
C2—N1—C3	106.9 (6)	H3A—C3—H3B	108.3
C1—N1—Pt1	109.7 (4)	N2—C4—C3	109.7 (6)
C2—N1—Pt1	114.1 (6)	N2—C4—H4A	109.7
C3—N1—Pt1	107.6 (3)	C3—C4—H4A	109.7
C4—N2—C5	112.4 (6)	N2—C4—H4B	109.7
C4—N2—C6	106.3 (7)	C3—C4—H4B	109.7
C5—N2—C6	107.4 (6)	H4A—C4—H4B	108.2
C4—N2—Pt1	106.0 (4)	N2—C5—H5A	109.5
C5—N2—Pt1	110.2 (5)	N2—C5—H5B	109.5
C6—N2—Pt1	114.5 (5)	H5A—C5—H5B	109.5
N1—C1—H1A	109.5	N2—C5—H5C	109.5
N1—C1—H1B	109.5	H5A—C5—H5C	109.5
H1A—C1—H1B	109.5	H5B—C5—H5C	109.5
N1—C1—H1C	109.5	N2—C6—H6A	109.5
H1A—C1—H1C	109.5	N2—C6—H6B	109.5
H1B—C1—H1C	109.5	H6A—C6—H6B	109.5
N1—C2—H2A	109.5	N2—C6—H6C	109.5
N1—C2—H2B	109.5	H6A—C6—H6C	109.5
H2A—C2—H2B	109.5	H6B—C6—H6C	109.5
N2—Pt1—N1—C1	−111.5 (5)	Cl1—Pt1—N2—C5	−82 (4)
Cl1—Pt1—N1—C1	69.7 (5)	Cl2—Pt1—N2—C5	77.3 (5)
Cl2—Pt1—N1—C1	−108 (5)	N1—Pt1—N2—C6	135.9 (7)
N2—Pt1—N1—C2	126.6 (4)	Cl1—Pt1—N2—C6	157 (4)
Cl1—Pt1—N1—C2	−52.2 (4)	Cl2—Pt1—N2—C6	−43.9 (7)
Cl2—Pt1—N1—C2	130 (5)	C1—N1—C3—C4	85.3 (7)
N2—Pt1—N1—C3	8.3 (5)	C2—N1—C3—C4	−157.2 (7)
Cl1—Pt1—N1—C3	−170.5 (5)	Pt1—N1—C3—C4	−34.3 (8)
Cl2—Pt1—N1—C3	11 (5)	C5—N2—C4—C3	76.8 (8)
N1—Pt1—N2—C4	19.1 (5)	C6—N2—C4—C3	−165.9 (6)
Cl1—Pt1—N2—C4	40 (4)	Pt1—N2—C4—C3	−43.7 (7)
Cl2—Pt1—N2—C4	−160.7 (5)	N1—C3—C4—N2	53.2 (8)
N1—Pt1—N2—C5	−102.8 (5)

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1B···Cl1i	0.96	2.79	3.724 (8)	166
C4—H4A···Cl1ii	0.97	2.82	3.596 (7)	137

Table 1

Selected bond lengths (Å)

Pt1—N1	2.071 (7)
Pt1—N2	2.076 (6)
Pt1—Cl1	2.292 (4)
Pt1—Cl2	2.304 (5)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1B⋯Cl1i	0.96	2.79	3.724 (8)	166
C4—H4A⋯Cl1ii	0.97	2.82	3.596 (7)	137

Symmetry codes: (i) ; (ii) .