catena-Poly[[bis-(dimethyl-formamide-κO)cadmium]-bis-(μ-4-nitro-phenyl-cyanamido-κN:N)].

In the title coordination polymer, [Cd(C(7)H(4)N(3)O(2))(2)(C(3)H(7)NO)(2)](n), the Cd(II) atom, lying on an inversion center, is six-coordinated in a distorted N(4)O(2) octa-hedral geometry. The N atoms of the 4-nitrophenylcyanamide anions form the equatorial plane and the O atoms of the dimethyl-formamide mol-ecules occupy the axial positions. The anions act as bridging ligands, connecting the Cd atoms into a one-dimensional coordination polymer along [100].

Related literature

For background to phenyl­cyanamide ligands and their complexes, see: Crutchley (2001 ▶). For polynuclear complexes of phenyl­cyanamide ligands, see: Ainscough et al. (1991 ▶); Chiniforoshan et al. (2009 ▶, 2010 ▶); Escuer et al. (2004 ▶). For the preparation of 4-nitro-phenyl­cyanamide used in the synthesis of the title compound, see: Crutchley & Naklicki (1989 ▶).

Experimental

Crystal data

[Cd(C7H4N3O2)2(C3H7NO)2]

M = 582.87

Triclinic,

a = 5.6070 (11) Å

b = 9.811 (2) Å

c = 11.679 (2) Å

α = 67.44 (3)°

β = 81.93 (3)°

γ = 84.28 (3)°

V = 586.7 (2) Å3

Z = 1

Mo Kα radiation

μ = 0.98 mm−1

T = 298 K

0.45 × 0.10 × 0.08 mm

Data collection

Stoe IPDS 2T diffractometer

Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2002 ▶) T min = 0.887, T max = 0.923

6589 measured reflections

3150 independent reflections

3038 reflections with I > 2σ(I)

R int = 0.066

Refinement

R[F 2 > 2σ(F 2)] = 0.044

wR(F 2) = 0.114

S = 1.11

3150 reflections

162 parameters

H-atom parameters constrained

Δρmax = 0.82 e Å−3

Δρmin = −0.89 e Å−3

Data collection: X-AREA (Stoe & Cie, 2002 ▶); cell refinement: X-AREA; data reduction: X-AREA; 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: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812001924/hy2496sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812001924/hy2496Isup2.hkl

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

[Cd(C7H4N3O2)2(C3H7NO)2]	Z = 1
Mr = 582.87	F(000) = 294
Triclinic, P1	Dx = 1.650 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 5.6070 (11) Å	Cell parameters from 3150 reflections
b = 9.811 (2) Å	θ = 2.3–29.2°
c = 11.679 (2) Å	µ = 0.98 mm−1
α = 67.44 (3)°	T = 298 K
β = 81.93 (3)°	Needle, yellow
γ = 84.28 (3)°	0.45 × 0.10 × 0.08 mm
V = 586.7 (2) Å3

Stoe IPDS 2T diffractometer	3150 independent reflections
Radiation source: fine-focus sealed tube	3038 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.066
ω scans	θmax = 29.2°, θmin = 2.3°
Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2002)	h = −7→7
Tmin = 0.887, Tmax = 0.923	k = −13→13
6589 measured reflections	l = −15→16

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)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.114	H-atom parameters constrained
S = 1.11	w = 1/[σ2(Fo2) + (0.0672P)2 + 0.308P] where P = (Fo2 + 2Fc2)/3
3150 reflections	(Δ/σ)max < 0.001
162 parameters	Δρmax = 0.82 e Å−3
0 restraints	Δρmin = −0.89 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
Cd1	0.0000	1.0000	0.0000	0.03092 (12)
O1	−0.1591 (9)	0.2034 (5)	0.4718 (4)	0.0897 (14)
O2	0.1354 (7)	0.1984 (4)	0.5719 (3)	0.0705 (10)
O3	0.0654 (5)	1.1593 (3)	0.0984 (3)	0.0493 (6)
N1	0.6524 (5)	0.9163 (3)	0.1262 (3)	0.0404 (6)
N2	0.2627 (5)	0.8176 (3)	0.1293 (3)	0.0362 (5)
N3	0.0180 (6)	0.2570 (4)	0.4842 (3)	0.0511 (8)
N4	0.3441 (5)	1.1798 (4)	0.2129 (3)	0.0417 (6)
C1	0.2102 (5)	0.6769 (3)	0.2158 (3)	0.0326 (6)
C2	0.3446 (6)	0.6018 (4)	0.3172 (3)	0.0392 (7)
H2	0.4765	0.6457	0.3264	0.047*
C3	0.2838 (7)	0.4640 (4)	0.4033 (3)	0.0437 (7)
H3	0.3748	0.4149	0.4694	0.052*
C4	0.0864 (6)	0.4002 (4)	0.3899 (3)	0.0387 (7)
C5	−0.0458 (6)	0.4682 (4)	0.2903 (4)	0.0446 (8)
H5	−0.1761	0.4225	0.2818	0.053*
C6	0.0172 (6)	0.6057 (4)	0.2026 (4)	0.0413 (7)
H6	−0.0697	0.6511	0.1344	0.050*
C7	0.4701 (5)	0.8656 (4)	0.1296 (3)	0.0338 (6)
C8	0.1668 (6)	1.1147 (4)	0.1947 (4)	0.0412 (7)
H8	0.1137	1.0288	0.2590	0.049*
C9	0.4414 (9)	1.3125 (5)	0.1153 (5)	0.0584 (10)
H9A	0.6050	1.2913	0.0873	0.088*
H9B	0.4371	1.3892	0.1476	0.088*
H9C	0.3461	1.3444	0.0466	0.088*
C10	0.4716 (9)	1.1095 (6)	0.3235 (5)	0.0598 (11)
H10A	0.3882	1.0246	0.3806	0.090*
H10B	0.4778	1.1784	0.3631	0.090*
H10C	0.6327	1.0793	0.2994	0.090*

	U11	U22	U33	U12	U13	U23
Cd1	0.01969 (14)	0.03075 (16)	0.03821 (18)	−0.00441 (9)	−0.00930 (10)	−0.00556 (12)
O1	0.092 (3)	0.066 (2)	0.089 (3)	−0.048 (2)	−0.027 (2)	0.011 (2)
O2	0.073 (2)	0.0528 (18)	0.0584 (19)	−0.0116 (16)	−0.0145 (16)	0.0133 (15)
O3	0.0510 (14)	0.0441 (14)	0.0569 (16)	−0.0031 (11)	−0.0226 (12)	−0.0175 (12)
N1	0.0274 (11)	0.0406 (14)	0.0439 (15)	−0.0065 (10)	−0.0072 (10)	−0.0035 (12)
N2	0.0253 (11)	0.0335 (13)	0.0425 (14)	−0.0060 (9)	−0.0082 (10)	−0.0037 (11)
N3	0.0499 (17)	0.0391 (16)	0.0529 (18)	−0.0092 (13)	−0.0037 (14)	−0.0038 (14)
N4	0.0381 (13)	0.0435 (15)	0.0451 (15)	−0.0046 (11)	−0.0100 (11)	−0.0159 (13)
C1	0.0256 (12)	0.0321 (14)	0.0362 (14)	−0.0014 (10)	−0.0073 (10)	−0.0072 (11)
C2	0.0347 (14)	0.0401 (16)	0.0398 (16)	−0.0078 (12)	−0.0126 (12)	−0.0075 (13)
C3	0.0431 (17)	0.0400 (17)	0.0389 (17)	−0.0069 (13)	−0.0139 (13)	−0.0003 (13)
C4	0.0380 (15)	0.0302 (14)	0.0436 (17)	−0.0045 (11)	−0.0024 (13)	−0.0092 (13)
C5	0.0341 (15)	0.0359 (16)	0.059 (2)	−0.0078 (12)	−0.0133 (14)	−0.0081 (15)
C6	0.0332 (14)	0.0350 (15)	0.0507 (19)	−0.0046 (11)	−0.0181 (13)	−0.0052 (14)
C7	0.0256 (12)	0.0349 (14)	0.0340 (14)	0.0007 (10)	−0.0073 (10)	−0.0045 (11)
C8	0.0410 (16)	0.0386 (16)	0.0467 (18)	−0.0055 (13)	−0.0073 (13)	−0.0172 (14)
C9	0.059 (2)	0.054 (2)	0.060 (2)	−0.0214 (19)	−0.0045 (19)	−0.015 (2)
C10	0.056 (2)	0.072 (3)	0.056 (2)	0.001 (2)	−0.0242 (19)	−0.024 (2)

Cd1—N1i	2.287 (3)	C2—C3	1.381 (5)
Cd1—O3	2.347 (3)	C2—H2	0.9300
Cd1—N2	2.383 (3)	C3—C4	1.380 (5)
O1—N3	1.219 (5)	C3—H3	0.9300
O2—N3	1.214 (5)	C4—C5	1.377 (5)
O3—C8	1.238 (5)	C5—C6	1.388 (5)
N1—C7	1.170 (4)	C5—H5	0.9300
N1—Cd1ii	2.287 (3)	C6—H6	0.9300
N2—C7	1.299 (4)	C8—H8	0.9300
N2—C1	1.392 (4)	C9—H9A	0.9600
N3—C4	1.461 (4)	C9—H9B	0.9600
N4—C8	1.316 (4)	C9—H9C	0.9600
N4—C9	1.456 (5)	C10—H10A	0.9600
N4—C10	1.460 (5)	C10—H10B	0.9600
C1—C6	1.401 (4)	C10—H10C	0.9600
C1—C2	1.409 (4)
N1i—Cd1—N1iii	180.000 (1)	C3—C2—H2	119.5
N1i—Cd1—O3	86.19 (12)	C1—C2—H2	119.5
N1iii—Cd1—O3	93.81 (12)	C4—C3—C2	119.2 (3)
N1i—Cd1—O3iv	93.81 (12)	C4—C3—H3	120.4
N1iii—Cd1—O3iv	86.19 (12)	C2—C3—H3	120.4
O3—Cd1—O3iv	180.00 (10)	C5—C4—C3	121.5 (3)
N1i—Cd1—N2iv	95.72 (10)	C5—C4—N3	119.8 (3)
N1iii—Cd1—N2iv	84.28 (10)	C3—C4—N3	118.7 (3)
O3—Cd1—N2iv	90.74 (10)	C4—C5—C6	119.4 (3)
O3iv—Cd1—N2iv	89.26 (10)	C4—C5—H5	120.3
N1i—Cd1—N2	84.28 (10)	C6—C5—H5	120.3
N1iii—Cd1—N2	95.72 (10)	C5—C6—C1	120.8 (3)
O3—Cd1—N2	89.26 (10)	C5—C6—H6	119.6
O3iv—Cd1—N2	90.74 (10)	C1—C6—H6	119.6
N2iv—Cd1—N2	180.0	N1—C7—N2	176.4 (3)
C8—O3—Cd1	121.5 (2)	O3—C8—N4	124.9 (4)
C7—N1—Cd1ii	142.5 (3)	O3—C8—H8	117.6
C7—N2—C1	116.9 (3)	N4—C8—H8	117.6
C7—N2—Cd1	113.9 (2)	N4—C9—H9A	109.5
C1—N2—Cd1	128.50 (19)	N4—C9—H9B	109.5
O2—N3—O1	123.1 (4)	H9A—C9—H9B	109.5
O2—N3—C4	119.1 (3)	N4—C9—H9C	109.5
O1—N3—C4	117.7 (4)	H9A—C9—H9C	109.5
C8—N4—C9	120.7 (3)	H9B—C9—H9C	109.5
C8—N4—C10	120.8 (4)	N4—C10—H10A	109.5
C9—N4—C10	117.9 (4)	N4—C10—H10B	109.5
N2—C1—C6	119.5 (3)	H10A—C10—H10B	109.5
N2—C1—C2	122.5 (3)	N4—C10—H10C	109.5
C6—C1—C2	118.0 (3)	H10A—C10—H10C	109.5
C3—C2—C1	121.1 (3)	H10B—C10—H10C	109.5
N1i—Cd1—O3—C8	−96.1 (3)	C6—C1—C2—C3	−1.9 (5)
N1iii—Cd1—O3—C8	83.9 (3)	C1—C2—C3—C4	−0.7 (6)
N2iv—Cd1—O3—C8	168.2 (3)	C2—C3—C4—C5	2.5 (6)
N2—Cd1—O3—C8	−11.8 (3)	C2—C3—C4—N3	−177.6 (4)
N1i—Cd1—N2—C7	35.1 (3)	O2—N3—C4—C5	−179.7 (4)
N1iii—Cd1—N2—C7	−144.9 (3)	O1—N3—C4—C5	−1.2 (6)
O3—Cd1—N2—C7	−51.2 (3)	O2—N3—C4—C3	0.4 (6)
O3iv—Cd1—N2—C7	128.8 (3)	O1—N3—C4—C3	178.9 (5)
N1i—Cd1—N2—C1	−155.1 (3)	C3—C4—C5—C6	−1.5 (6)
N1iii—Cd1—N2—C1	24.9 (3)	N3—C4—C5—C6	178.6 (4)
O3—Cd1—N2—C1	118.6 (3)	C4—C5—C6—C1	−1.2 (6)
O3iv—Cd1—N2—C1	−61.4 (3)	N2—C1—C6—C5	−177.2 (3)
C7—N2—C1—C6	−165.8 (3)	C2—C1—C6—C5	2.9 (5)
Cd1—N2—C1—C6	24.6 (5)	Cd1—O3—C8—N4	131.9 (3)
C7—N2—C1—C2	14.0 (5)	C9—N4—C8—O3	−1.7 (6)
Cd1—N2—C1—C2	−155.5 (3)	C10—N4—C8—O3	−172.6 (4)
N2—C1—C2—C3	178.2 (3)

Table 1

Selected bond lengths (Å)

Cd1—N1i	2.287 (3)
Cd1—O3	2.347 (3)
Cd1—N2	2.383 (3)

Symmetry code: (i) .