catena-Poly[[bis-(N,N'-dimethyl-formamide)cadmium(II)]-μ(2)-oxalato].

The title compound, [Cd(C(2)O(4))(C(3)H(7)NO)(2)](n), is isostructural with its Mn(II) analogue. The structure comprises zigzag polymeric chains with the oxalate groups situated on inversion centres and the Cd(II) atoms located on twofold rotation axes. The coordination geometry around Cd(II) is distorted octa-hedral and the intra-chain Cd⋯Cd distance is 5.842 (1) Å. C-H⋯O hydrogen bonds exist between the parallel polymeric chains.

Related literature

For the isostructural MnII analogue, see: Chan et al. (2007 ▶). For related literature, see: Borel et al. (2006 ▶); Decurtins et al. (1994 ▶); Imaz et al. (2005 ▶); Ma et al. (2007 ▶); Ockwig et al. (2005 ▶); Prasad et al. (2002 ▶); Xia et al. (2004 ▶); Zavalij et al. (2003 ▶); Zaworotko (2007 ▶).

Experimental

Crystal data

[Cd(C2O4)(C3H7NO)2]

M = 346.61

Orthorhombic,

a = 15.153 (4) Å

b = 8.006 (2) Å

c = 10.403 (3) Å

V = 1262.0 (6) Å3

Z = 4

Mo Kα radiation

μ = 1.75 mm−1

T = 153 (2) K

0.41 × 0.31 × 0.19 mm

Data collection

Siemens SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.523, T max = 0.718

19498 measured reflections

2301 independent reflections

1705 reflections with I > 2σ(I)

R int = 0.055

Refinement

R[F 2 > 2σ(F 2)] = 0.025

wR(F 2) = 0.077

S = 1.01

2301 reflections

80 parameters

H-atom parameters constrained

Δρmax = 1.28 e Å−3

Δρmin = −0.75 e Å−3

Data collection: SMART (Bruker, 2003 ▶); cell refinement: SAINT (Bruker, 2003 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2003 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: DIAMOND (Brandenburg, 2007 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807066147/bi2270sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807066147/bi2270Isup2.hkl

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

[Cd(C2O4)(C3H7NO)2]	F000 = 688
Mr = 346.61	Dx = 1.824 Mg m−3
Orthorhombic, Pbcn	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2n 2ab	Cell parameters from 2301 reflections
a = 15.153 (4) Å	θ = 2.7–32.9º
b = 8.006 (2) Å	µ = 1.75 mm−1
c = 10.403 (3) Å	T = 153 (2) K
V = 1262.0 (6) Å3	Prism, colourless
Z = 4	0.41 × 0.31 × 0.19 mm

Siemens SMART CCD diffractometer	2301 independent reflections
Radiation source: fine-focus sealed tube	1705 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.055
T = 153(2) K	θmax = 32.9º
ω scans	θmin = 2.7º
Absorption correction: multi-scan(SADABS; Sheldrick, 2003)	h = −23→23
Tmin = 0.523, Tmax = 0.718	k = −12→12
19498 measured reflections	l = −15→15

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)] = 0.025	H-atom parameters constrained
wR(F2) = 0.077	w = 1/[σ2(Fo2) + (0.0446P)2 + 0.4422P] where P = (Fo2 + 2Fc2)/3
S = 1.01	(Δ/σ)max < 0.001
2301 reflections	Δρmax = 1.28 e Å−3
80 parameters	Δρmin = −0.75 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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
Cd1	0.5000	0.16606 (2)	0.2500	0.01965 (7)
O2	0.42585 (9)	0.14921 (17)	0.06167 (13)	0.0290 (3)
O1	0.57439 (8)	−0.02193 (18)	0.12849 (12)	0.0285 (3)
O3	0.40504 (9)	0.37996 (18)	0.30029 (13)	0.0278 (3)
N1	0.33333 (10)	0.6091 (2)	0.22806 (14)	0.0234 (3)
C3	0.38865 (12)	0.4853 (2)	0.21484 (18)	0.0247 (3)
H3	0.4185	0.4745	0.1349	0.030*
C1	0.45726 (11)	0.0493 (2)	−0.01929 (16)	0.0212 (3)
C5	0.31781 (15)	0.7309 (3)	0.1264 (2)	0.0377 (5)
H5A	0.3549	0.7041	0.0521	0.057*
H5B	0.3325	0.8429	0.1579	0.057*
H5C	0.2556	0.7277	0.1010	0.057*
C4	0.28609 (13)	0.6360 (3)	0.34853 (19)	0.0291 (4)
H4A	0.2970	0.5418	0.4066	0.044*
H4B	0.2227	0.6445	0.3312	0.044*
H4C	0.3068	0.7395	0.3887	0.044*

	U11	U22	U33	U12	U13	U23
Cd1	0.02016 (11)	0.02378 (11)	0.01502 (10)	0.000	−0.00112 (5)	0.000
O2	0.0281 (6)	0.0385 (7)	0.0203 (6)	0.0124 (5)	−0.0054 (5)	−0.0067 (5)
O1	0.0272 (6)	0.0388 (8)	0.0194 (5)	0.0088 (5)	−0.0083 (4)	−0.0069 (5)
O3	0.0297 (7)	0.0312 (7)	0.0224 (6)	0.0071 (6)	0.0048 (5)	0.0032 (6)
N1	0.0242 (7)	0.0274 (8)	0.0187 (6)	0.0024 (6)	−0.0015 (5)	−0.0004 (6)
C3	0.0259 (8)	0.0293 (9)	0.0189 (7)	0.0019 (7)	0.0027 (6)	−0.0014 (7)
C1	0.0197 (8)	0.0251 (7)	0.0186 (7)	0.0027 (6)	−0.0025 (5)	−0.0002 (6)
C5	0.0463 (12)	0.0414 (12)	0.0254 (9)	0.0106 (10)	−0.0008 (8)	0.0063 (9)
C4	0.0246 (9)	0.0371 (10)	0.0257 (9)	0.0038 (7)	0.0044 (7)	−0.0024 (8)

Cd1—O2i	2.2624 (14)	N1—C4	1.459 (2)
Cd1—O2	2.2624 (14)	C3—H3	0.9500
Cd1—O1i	2.2658 (13)	C1—O1ii	1.2524 (19)
Cd1—O1	2.2658 (13)	C1—C1ii	1.569 (3)
Cd1—O3	2.2971 (14)	C5—H5A	0.9800
Cd1—O3i	2.2972 (14)	C5—H5B	0.9800
O2—C1	1.255 (2)	C5—H5C	0.9800
O1—C1ii	1.2524 (19)	C4—H4A	0.9800
O3—C3	1.250 (2)	C4—H4B	0.9800
N1—C3	1.305 (2)	C4—H4C	0.9800
N1—C5	1.457 (3)
O2i—Cd1—O2	173.16 (7)	C5—N1—C4	116.45 (17)
O2i—Cd1—O1i	74.00 (5)	O3—C3—N1	124.40 (18)
O2—Cd1—O1i	101.33 (5)	O3—C3—H3	117.8
O2i—Cd1—O1	101.33 (5)	N1—C3—H3	117.8
O2—Cd1—O1	74.00 (5)	O1ii—C1—O2	125.09 (16)
O1i—Cd1—O1	96.75 (8)	O1ii—C1—C1ii	117.39 (18)
O2i—Cd1—O3	99.11 (5)	O2—C1—C1ii	117.52 (17)
O2—Cd1—O3	86.02 (5)	N1—C5—H5A	109.5
O1i—Cd1—O3	93.24 (5)	N1—C5—H5B	109.5
O1—Cd1—O3	159.05 (5)	H5A—C5—H5B	109.5
O2i—Cd1—O3i	86.02 (5)	N1—C5—H5C	109.5
O2—Cd1—O3i	99.11 (5)	H5A—C5—H5C	109.5
O1i—Cd1—O3i	159.05 (5)	H5B—C5—H5C	109.5
O1—Cd1—O3i	93.24 (5)	N1—C4—H4A	109.5
O3—Cd1—O3i	83.60 (7)	N1—C4—H4B	109.5
C1—O2—Cd1	115.51 (11)	H4A—C4—H4B	109.5
C1ii—O1—Cd1	115.58 (11)	N1—C4—H4C	109.5
C3—O3—Cd1	117.74 (12)	H4A—C4—H4C	109.5
C3—N1—C5	122.37 (16)	H4B—C4—H4C	109.5
C3—N1—C4	121.15 (17)
O1i—Cd1—O2—C1	−93.56 (14)	O2—Cd1—O3—C3	−43.38 (14)
O1—Cd1—O2—C1	0.29 (13)	O1i—Cd1—O3—C3	−144.53 (14)
O3—Cd1—O2—C1	173.92 (14)	O1—Cd1—O3—C3	−26.0 (2)
O3i—Cd1—O2—C1	91.07 (14)	O3i—Cd1—O3—C3	56.26 (12)
O2i—Cd1—O1—C1ii	174.51 (13)	Cd1—O3—C3—N1	177.06 (15)
O2—Cd1—O1—C1ii	−0.35 (13)	C5—N1—C3—O3	178.7 (2)
O1i—Cd1—O1—C1ii	99.55 (14)	C4—N1—C3—O3	1.1 (3)
O3—Cd1—O1—C1ii	−18.4 (2)	Cd1—O2—C1—O1ii	179.68 (15)
O3i—Cd1—O1—C1ii	−98.90 (14)	Cd1—O2—C1—C1ii	−0.2 (3)
O2i—Cd1—O3—C3	141.17 (14)

D—H···A	D—H	H···A	D···A	D—H···A
C4—H4B···O1iii	0.98	2.65	3.456 (2)	140
C4—H4C···O2iv	0.98	2.70	3.516 (3)	141
C4—H4C···O1v	0.98	2.63	3.468 (3)	144
C4—H4A···O3	0.98	2.36	2.775 (2)	104

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C4—H4B⋯O1i	0.98	2.65	3.456 (2)	140
C4—H4C⋯O2ii	0.98	2.70	3.516 (3)	141
C4—H4C⋯O1iii	0.98	2.63	3.468 (3)	144
C4—H4A⋯O3	0.98	2.36	2.775 (2)	104

Symmetry codes: (i) ; (ii) ; (iii) .