Poly[bis-(μ-azido-κN:N)[μ-1,2-bis-(imid-azol-1-yl)ethane-κN:N]cadmium].

In the title three-dimensional coordination polymer, [Cd(N(3))(2)(C(8)H(10)N(4))](n), the coordination geometry around the Cd(II) atom is distorted octa-hedral. The Cd(II) atom is coordinated by two N atoms from two cis-positioned bridging 1,2-bis-(imidazol-1-yl)ethane (bime) ligands and four N atoms from four azide anions. Each azide ligand acts in an end-on bridging coordination mode. The azide ligands and Cd(II) atoms form a one-dimensional zigzag chain constructed from four-membered [Cd(N(3))(2)](n) metallacycles extending along the a axis. These inorganic chains are connected with four other chains via bridging bime ligands to form a three-dimensional coordination network.

Related literature

For coordination polymers with intriguing structures, see: Batten & Robson (1998 ▶); Blake et al. (1999 ▶); Kitagawa et al. (2004 ▶). For coordination polymers with flexible ligands, see: Hoskins et al. (1997a ▶,b ▶). For azide coordination compounds and polymers, see: Ribas et al. (1999 ▶); Leibeling et al. (2004 ▶); Chen & Chen (2002 ▶); Mautner et al. (1997 ▶). For 1,2-bis­(imidazol-1-yl)ethane (bime) coordination polymers, see: Zhang et al. (2005 ▶, 2008 ▶); Zhu et al. (2010 ▶).

Experimental

Crystal data

[Cd(N3)2(C8H10N4)]

M = 358.66

Monoclinic,

a = 6.4565 (14) Å

b = 18.874 (4) Å

c = 10.449 (2) Å

β = 90.485 (5)°

V = 1273.2 (5) Å3

Z = 4

Mo Kα radiation

μ = 1.72 mm−1

T = 153 K

0.36 × 0.17 × 0.15 mm

Data collection

Rigaku Mercury CCD diffractometer

Absorption correction: multi-scan (REQAB; Jacobson, 1998 ▶) T min = 0.576, T max = 0.783

12260 measured reflections

2324 independent reflections

2190 reflections with I > 2σ(I)

R int = 0.029

Refinement

R[F 2 > 2σ(F 2)] = 0.023

wR(F 2) = 0.056

S = 1.09

2324 reflections

172 parameters

H-atom parameters constrained

Δρmax = 0.68 e Å−3

Δρmin = −0.39 e Å−3

Data collection: CrystalClear (Rigaku, 2000 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812004370/gk2436sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812004370/gk2436Isup2.hkl

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

[Cd(N3)2(C8H10N4)]	F(000) = 704
Mr = 358.66	Dx = 1.871 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71070 Å
Hall symbol: -P 2ybc	Cell parameters from 4950 reflections
a = 6.4565 (14) Å	θ = 3.2–25.4°
b = 18.874 (4) Å	µ = 1.72 mm−1
c = 10.449 (2) Å	T = 153 K
β = 90.485 (5)°	Block, colourless
V = 1273.2 (5) Å3	0.36 × 0.17 × 0.15 mm
Z = 4

Rigaku Mercury CCD diffractometer	2324 independent reflections
Radiation source: fine-focus sealed tube	2190 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
ω scans	θmax = 25.3°, θmin = 3.2°
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	h = −7→7
Tmin = 0.576, Tmax = 0.783	k = −22→21
12260 measured reflections	l = −12→12

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)] = 0.023	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.056	H-atom parameters constrained
S = 1.09	w = 1/[σ2(Fo2) + (0.0271P)2 + 1.003P] where P = (Fo2 + 2Fc2)/3
2324 reflections	(Δ/σ)max < 0.001
172 parameters	Δρmax = 0.68 e Å−3
0 restraints	Δρmin = −0.39 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	0.25318 (3)	0.538064 (9)	0.443664 (17)	0.01313 (8)
N1	0.6247 (3)	0.60924 (12)	0.1163 (2)	0.0180 (5)
N2	0.4047 (3)	0.56039 (12)	0.2487 (2)	0.0173 (5)
N3	0.9231 (4)	0.75635 (12)	−0.0341 (2)	0.0214 (5)
N4	1.1350 (4)	0.84573 (12)	−0.0646 (2)	0.0203 (5)
N5	0.5555 (3)	0.57080 (12)	0.5537 (2)	0.0174 (5)
N6	0.5556 (4)	0.61004 (12)	0.6435 (2)	0.0210 (5)
N7	0.5618 (5)	0.64938 (15)	0.7285 (3)	0.0419 (8)
N8	−0.0515 (3)	0.48306 (13)	0.3709 (2)	0.0194 (5)
N9	−0.0800 (3)	0.46469 (11)	0.2657 (2)	0.0163 (5)
N10	−0.1107 (4)	0.44775 (15)	0.1588 (3)	0.0344 (7)
C1	0.8087 (4)	0.64601 (16)	0.0693 (3)	0.0228 (6)
H1A	0.8769	0.6170	0.0030	0.027*
H1B	0.9085	0.6534	0.1405	0.027*
C2	0.7448 (4)	0.71673 (15)	0.0134 (3)	0.0244 (6)
H2A	0.6452	0.7088	−0.0578	0.029*
H2B	0.6742	0.7450	0.0798	0.029*
C3	0.5867 (4)	0.59166 (14)	0.2384 (3)	0.0182 (6)
H3A	0.6786	0.6005	0.3081	0.022*
C4	0.3236 (4)	0.55828 (15)	0.1267 (3)	0.0212 (6)
H4A	0.1927	0.5388	0.1039	0.025*
C5	0.4581 (4)	0.58817 (15)	0.0439 (3)	0.0223 (6)
H5A	0.4405	0.5934	−0.0460	0.027*
C6	0.9741 (4)	0.82267 (14)	−0.0004 (3)	0.0202 (6)
H6A	0.9028	0.8497	0.0621	0.024*
C7	1.1899 (5)	0.79080 (16)	−0.1438 (3)	0.0322 (8)
H7A	1.3012	0.7917	−0.2027	0.039*
C8	1.0618 (5)	0.73543 (17)	−0.1252 (3)	0.0350 (8)
H8A	1.0667	0.6908	−0.1669	0.042*

	U11	U22	U33	U12	U13	U23
Cd1	0.01024 (12)	0.01476 (13)	0.01442 (12)	0.00040 (7)	0.00091 (8)	0.00122 (7)
N1	0.0179 (12)	0.0179 (12)	0.0184 (12)	−0.0024 (9)	0.0052 (10)	0.0028 (9)
N2	0.0180 (12)	0.0174 (11)	0.0164 (12)	0.0028 (10)	0.0023 (10)	0.0012 (10)
N3	0.0223 (13)	0.0169 (12)	0.0251 (13)	−0.0057 (10)	0.0059 (11)	−0.0022 (10)
N4	0.0184 (12)	0.0173 (12)	0.0252 (13)	−0.0019 (10)	0.0036 (10)	−0.0013 (10)
N5	0.0156 (12)	0.0167 (12)	0.0199 (12)	0.0020 (9)	−0.0006 (10)	−0.0020 (10)
N6	0.0192 (13)	0.0205 (13)	0.0233 (14)	−0.0054 (10)	0.0037 (10)	0.0033 (11)
N7	0.063 (2)	0.0351 (17)	0.0281 (16)	−0.0174 (15)	0.0124 (14)	−0.0144 (13)
N8	0.0136 (12)	0.0269 (13)	0.0178 (13)	−0.0039 (10)	0.0006 (10)	0.0029 (11)
N9	0.0108 (11)	0.0136 (12)	0.0246 (15)	−0.0019 (8)	0.0031 (10)	0.0020 (10)
N10	0.0336 (16)	0.0459 (17)	0.0238 (16)	−0.0125 (13)	0.0015 (12)	−0.0103 (13)
C1	0.0167 (14)	0.0288 (16)	0.0231 (15)	−0.0040 (12)	0.0042 (12)	0.0038 (12)
C2	0.0205 (15)	0.0215 (15)	0.0312 (16)	−0.0055 (12)	0.0040 (13)	0.0020 (13)
C3	0.0161 (14)	0.0204 (14)	0.0182 (14)	0.0016 (11)	−0.0005 (11)	0.0010 (11)
C4	0.0203 (15)	0.0209 (14)	0.0222 (15)	−0.0042 (12)	−0.0011 (12)	−0.0031 (12)
C5	0.0252 (16)	0.0241 (15)	0.0177 (14)	−0.0061 (12)	0.0001 (12)	−0.0012 (12)
C6	0.0199 (15)	0.0161 (14)	0.0247 (15)	−0.0019 (11)	0.0056 (12)	−0.0025 (11)
C7	0.0392 (19)	0.0233 (16)	0.0345 (18)	−0.0055 (14)	0.0204 (15)	−0.0058 (13)
C8	0.049 (2)	0.0218 (16)	0.0344 (18)	−0.0084 (15)	0.0219 (16)	−0.0103 (14)

Cd1—N2	2.306 (2)	N5—Cd1iii	2.397 (2)
Cd1—N4i	2.324 (2)	N6—N7	1.158 (3)
Cd1—N5	2.340 (2)	N8—N9	1.166 (3)
Cd1—N8	2.345 (2)	N8—Cd1ii	2.377 (2)
Cd1—N8ii	2.377 (2)	N9—N10	1.177 (4)
Cd1—N5iii	2.397 (2)	C1—C2	1.513 (4)
N1—C3	1.343 (3)	C1—H1A	0.9900
N1—C5	1.369 (4)	C1—H1B	0.9900
N1—C1	1.464 (4)	C2—H2A	0.9900
N2—C3	1.320 (4)	C2—H2B	0.9900
N2—C4	1.375 (4)	C3—H3A	0.9500
N3—C6	1.341 (3)	C4—C5	1.355 (4)
N3—C8	1.370 (4)	C4—H4A	0.9500
N3—C2	1.463 (4)	C5—H5A	0.9500
N4—C6	1.316 (4)	C6—H6A	0.9500
N4—C7	1.375 (4)	C7—C8	1.348 (4)
N4—Cd1iv	2.324 (2)	C7—H7A	0.9500
N5—N6	1.195 (3)	C8—H8A	0.9500
N2—Cd1—N4i	86.36 (8)	Cd1—N8—Cd1ii	105.89 (9)
N2—Cd1—N5	91.57 (8)	N8—N9—N10	178.4 (3)
N4i—Cd1—N5	92.36 (8)	N1—C1—C2	109.1 (2)
N2—Cd1—N8	98.95 (8)	N1—C1—H1A	109.9
N4i—Cd1—N8	97.56 (8)	C2—C1—H1A	109.9
N5—Cd1—N8	165.94 (8)	N1—C1—H1B	109.9
N2—Cd1—N8ii	171.89 (8)	C2—C1—H1B	109.9
N4i—Cd1—N8ii	90.38 (8)	H1A—C1—H1B	108.3
N5—Cd1—N8ii	95.98 (8)	N3—C2—C1	111.7 (2)
N8—Cd1—N8ii	74.11 (9)	N3—C2—H2A	109.3
N2—Cd1—N5iii	86.80 (8)	C1—C2—H2A	109.3
N4i—Cd1—N5iii	168.07 (8)	N3—C2—H2B	109.3
N5—Cd1—N5iii	78.07 (8)	C1—C2—H2B	109.3
N8—Cd1—N5iii	93.15 (8)	H2A—C2—H2B	107.9
N8ii—Cd1—N5iii	97.62 (8)	N2—C3—N1	111.0 (2)
C3—N1—C5	107.7 (2)	N2—C3—H3A	124.5
C3—N1—C1	126.2 (2)	N1—C3—H3A	124.5
C5—N1—C1	126.1 (2)	C5—C4—N2	109.8 (2)
C3—N2—C4	105.6 (2)	C5—C4—H4A	125.1
C3—N2—Cd1	122.58 (18)	N2—C4—H4A	125.1
C4—N2—Cd1	130.74 (18)	C4—C5—N1	105.8 (2)
C6—N3—C8	106.9 (2)	C4—C5—H5A	127.1
C6—N3—C2	125.5 (2)	N1—C5—H5A	127.1
C8—N3—C2	127.5 (2)	N4—C6—N3	111.6 (2)
C6—N4—C7	105.4 (2)	N4—C6—H6A	124.2
C6—N4—Cd1iv	123.63 (18)	N3—C6—H6A	124.2
C7—N4—Cd1iv	130.37 (19)	C8—C7—N4	109.6 (3)
N6—N5—Cd1	122.96 (18)	C8—C7—H7A	125.2
N6—N5—Cd1iii	121.70 (18)	N4—C7—H7A	125.2
Cd1—N5—Cd1iii	101.93 (8)	C7—C8—N3	106.4 (3)
N7—N6—N5	177.5 (3)	C7—C8—H8A	126.8
N9—N8—Cd1	124.23 (19)	N3—C8—H8A	126.8
N9—N8—Cd1ii	129.46 (19)
C3—N1—C1—C2	−116.5 (3)	C3—N1—C5—C4	0.1 (3)
C5—N1—C1—C2	61.8 (4)	C1—N1—C5—C4	−178.4 (3)
C6—N3—C2—C1	−125.8 (3)	C7—N4—C6—N3	−0.1 (3)
C8—N3—C2—C1	58.2 (4)	Cd1iv—N4—C6—N3	172.20 (18)
N1—C1—C2—N3	179.4 (2)	C8—N3—C6—N4	0.5 (3)
C4—N2—C3—N1	−0.1 (3)	C2—N3—C6—N4	−176.2 (3)
Cd1—N2—C3—N1	−169.59 (17)	C6—N4—C7—C8	−0.5 (4)
C5—N1—C3—N2	0.0 (3)	Cd1iv—N4—C7—C8	−172.0 (2)
C1—N1—C3—N2	178.6 (2)	N4—C7—C8—N3	0.8 (4)
C3—N2—C4—C5	0.2 (3)	C6—N3—C8—C7	−0.8 (4)
Cd1—N2—C4—C5	168.5 (2)	C2—N3—C8—C7	175.9 (3)
N2—C4—C5—N1	−0.2 (3)

Cd1—N2	2.306 (2)
Cd1—N4i	2.324 (2)
Cd1—N5	2.340 (2)
Cd1—N8	2.345 (2)
Cd1—N8ii	2.377 (2)
Cd1—N5iii	2.397 (2)

N2—Cd1—N5

91.57 (8)

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