catena-Poly[cadmium-bis-(μ-N,N-dimethyl-dithio-carbamato-κS,S':S)].

In the title compound, [Cd(C(3)H(6)NS(2))(2)](n), the Cd(II) atom, lying on a twofold rotation axis, is coordinated by six S atoms from four different N,N-dimethyl-dithio-carbamate ligands in a distorted octa-hedral geometry. The bridging of S atoms of the ligands leads to the formation of a one-dimensional structure along [001].

Related literature

For general background to metal–organic frameworks, see: Kitagawa et al. (2006 ▶); Papaefstathiou & MacGillivray (2003 ▶); Yaghi et al. (1998 ▶). For sodium, zinc and copper salts of dimethyl­dithio­carbamate, see: Einstein & Field (1974 ▶); Oskarsson & Ymén (1983 ▶).

Experimental

Crystal data

[Cd(C3H6NS2)2]

M = 352.82

Orthorhombic,

a = 10.055 (2) Å

b = 14.744 (3) Å

c = 7.9518 (17) Å

V = 1178.9 (4) Å3

Z = 4

Mo Kα radiation

μ = 2.52 mm−1

T = 296 K

0.54 × 0.22 × 0.17 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.519, T max = 0.652

9543 measured reflections

1370 independent reflections

1221 reflections with I > 2σ(I)

R int = 0.030

Refinement

R[F 2 > 2σ(F 2)] = 0.017

wR(F 2) = 0.044

S = 1.07

1370 reflections

63 parameters

H-atom parameters constrained

Δρmax = 0.29 e Å−3

Δρmin = −0.34 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810043977/hy2367sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810043977/hy2367Isup2.hkl

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

[Cd(C3H6NS2)2]	F(000) = 696
Mr = 352.82	Dx = 1.988 Mg m−3
Orthorhombic, Pccn	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ab 2ac	Cell parameters from 4468 reflections
a = 10.055 (2) Å	θ = 2.5–27.6°
b = 14.744 (3) Å	µ = 2.52 mm−1
c = 7.9518 (17) Å	T = 296 K
V = 1178.9 (4) Å3	Block, colorless
Z = 4	0.54 × 0.22 × 0.17 mm

Bruker APEXII CCD diffractometer	1370 independent reflections
Radiation source: fine-focus sealed tube	1221 reflections with I > 2σ(I)
graphite	Rint = 0.030
φ and ω scans	θmax = 27.6°, θmin = 2.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −13→13
Tmin = 0.519, Tmax = 0.652	k = −16→19
9543 measured reflections	l = −10→10

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)] = 0.017	H-atom parameters constrained
wR(F2) = 0.044	w = 1/[σ2(Fo2) + (0.0174P)2 + 0.6307P] where P = (Fo2 + 2Fc2)/3
S = 1.07	(Δ/σ)max = 0.001
1370 reflections	Δρmax = 0.29 e Å−3
63 parameters	Δρmin = −0.33 e Å−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0036 (3)

	x	y	z	Uiso*/Ueq
Cd1	0.7500	0.2500	0.17288 (2)	0.03178 (9)
S1	0.49818 (5)	0.28596 (4)	0.11658 (7)	0.04016 (14)
S2	0.71139 (5)	0.37665 (3)	−0.08336 (6)	0.03093 (12)
N1	0.45119 (16)	0.39753 (11)	−0.1396 (2)	0.0335 (4)
C1	0.54274 (18)	0.35704 (12)	−0.0449 (2)	0.0279 (4)
C2	0.3088 (2)	0.38157 (18)	−0.1150 (3)	0.0473 (5)
H2A	0.2952	0.3465	−0.0118	0.071*
H2B	0.2734	0.3477	−0.2112	0.071*
H2C	0.2626	0.4399	−0.1057	0.071*
C3	0.4855 (2)	0.45777 (16)	−0.2802 (3)	0.0481 (5)
H3A	0.5549	0.5003	−0.2446	0.072*
H3B	0.4063	0.4917	−0.3151	0.072*
H3C	0.5181	0.4215	−0.3749	0.072*

	U11	U22	U33	U12	U13	U23
Cd1	0.02789 (12)	0.04207 (14)	0.02537 (12)	0.00462 (8)	0.000	0.000
S1	0.0295 (2)	0.0507 (3)	0.0403 (3)	0.0030 (2)	0.0035 (2)	0.0156 (2)
S2	0.0294 (2)	0.0340 (2)	0.0294 (2)	−0.00350 (18)	−0.00062 (18)	−0.00097 (18)
N1	0.0323 (8)	0.0348 (9)	0.0333 (8)	0.0051 (7)	−0.0036 (7)	0.0015 (7)
C1	0.0298 (9)	0.0284 (9)	0.0256 (9)	0.0017 (7)	−0.0001 (7)	−0.0039 (7)
C2	0.0331 (11)	0.0580 (14)	0.0509 (13)	0.0091 (10)	−0.0074 (10)	0.0033 (11)
C3	0.0544 (13)	0.0434 (12)	0.0466 (12)	0.0058 (10)	−0.0070 (11)	0.0154 (10)

Cd1—S1	2.6255 (7)	N1—C3	1.469 (3)
Cd1—S2	2.7909 (6)	C2—H2A	0.9800
Cd1—S2i	2.7194 (6)	C2—H2B	0.9800
S1—C1	1.7169 (19)	C2—H2C	0.9800
S2—C1	1.7473 (19)	C3—H3A	0.9800
S2—Cd1ii	2.7194 (6)	C3—H3B	0.9800
N1—C1	1.331 (2)	C3—H3C	0.9800
N1—C2	1.464 (3)
S1—Cd1—S1iii	160.37 (3)	C1—N1—C2	121.94 (18)
S1—Cd1—S2i	96.922 (18)	C1—N1—C3	122.66 (17)
S1iii—Cd1—S2i	97.039 (16)	C2—N1—C3	115.34 (17)
S1—Cd1—S2iv	97.039 (16)	N1—C1—S1	121.09 (14)
S1iii—Cd1—S2iv	96.922 (18)	N1—C1—S2	119.88 (14)
S2i—Cd1—S2iv	89.07 (3)	S1—C1—S2	119.03 (10)
S1—Cd1—S2iii	98.326 (18)	N1—C2—H2A	109.5
S1iii—Cd1—S2iii	66.812 (15)	N1—C2—H2B	109.5
S2i—Cd1—S2iii	163.74 (2)	H2A—C2—H2B	109.5
S2iv—Cd1—S2iii	94.63 (2)	N1—C2—H2C	109.5
S1—Cd1—S2	66.812 (15)	H2A—C2—H2C	109.5
S1iii—Cd1—S2	98.326 (18)	H2B—C2—H2C	109.5
S2i—Cd1—S2	94.63 (2)	N1—C3—H3A	109.5
S2iv—Cd1—S2	163.74 (2)	N1—C3—H3B	109.5
S2iii—Cd1—S2	86.22 (3)	H3A—C3—H3B	109.5
C1—S1—Cd1	89.95 (6)	N1—C3—H3C	109.5
C1—S2—Cd1ii	98.61 (6)	H3A—C3—H3C	109.5
C1—S2—Cd1	84.06 (6)	H3B—C3—H3C	109.5
Cd1ii—S2—Cd1	92.35 (2)

Table 1

Selected bond lengths (Å)

Cd1—S1	2.6255 (7)
Cd1—S2	2.7909 (6)
Cd1—S2i	2.7194 (6)

Symmetry code: (i) .