Poly[bis­(μ-azido-κ2N1:N1)[μ-1,2-bis­(imid­azol-1-yl)ethane-κ2N3:N3′]cadmium]

Li, H.-Y.; Sun, P.-P.; Li, B.-L.

doi:10.1107/S1600536812004370

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 3| March 2012| Pages m253-m254

doi:10.1107/S1600536812004370

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Poly[bis(μ-azido-κ²N¹:N¹)[μ-1,2-bis(imidazol-1-yl)ethane-κ²N³:N^3′]cadmium]

Hai-Yan Li,^a Peng-Peng Sun ^a and Bao-Long Li ^a ^*

^aCollege of Chemistry, Chemical Engineering and Materials Science, Key Laboratory of Organic Synthesis of Jiangsu Province, Soochow University, Suzhou 215123, People's Republic of China
^*Correspondence e-mail: libaolong@suda.edu.cn

(Received 18 November 2011; accepted 2 February 2012; online 10 February 2012)

In the title three-dimensional coordination polymer, [Cd(N₃)₂(C₈H₁₀N₄)]_n, the coordination geometry around the Cd^II atom is distorted octahedral. 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(N₃)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_r = 358.66
Monoclinic, P 2₁ /c
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[F² > 2σ(F²)] = 0.023
wR(F²) = 0.056
S = 1.09
2324 reflections
172 parameters
H-atom parameters constrained
Δρ_max = 0.68 e Å⁻³
Δρ_min = −0.39 e Å⁻³

Table 1
Selected geometric parameters (Å, °)

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) $[x-1, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (ii) -x, -y+1, -z+1; (iii) -x+1, -y+1, -z+1.

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.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536812004370/gk2436sup1.cif

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

checkCIF report

Comment top

Coordination polymers have been paid great attention for their intriguing structures and potential applications as functional materials (Batten & Robson 1998; Kitagawa et al., 2004). The selection of ligand is very important for the design and construction of the coordination polymers. In contrast to the rigid ligands with little or no conformational freedom when they interact with the metal ions, the flexible ligands can adjust their conformations to the geometric requirements of the metal ions (Hoskins et al., 1997a,b).

The short anion ligand azide (N₃^-) is widely used to construct novel coordination polymers because its versatile coordination modes and the ability to mediate strong magnetic coupling (Ribas et al., 1999; Leibeling et al., 2004).

In our previous studies, we synthesized two Cd^II coordination polymers with the flexible ligand 1,2-bis(imidazol-1-yl)ethane (bime; Zhang et al., 2005; Zhang et al., 2008) and one Cu^II coordination polymer (Zhu et al., 2010). In order to extend our work, in the present paper we report the preparation and crystal structure of a novel three-dimensional cadmium(II) coordination polymer [Cd(bime)(N₃)₂]_n (I) with the flexible ligand bime and short anion ligand azide.

The structure of (I) is a novel three-dimensional network. Each Cd^II atom is coordinated by six nitrogen atoms: two from two bime ligands in the cis-positions and the remaining four from four azide anions, in a distorted octahedral geometry (Fig. 1, Table 1).

The Cd—N bond lengths are in the range of 2.306 (2) - 2.397 (2) Å and do not vary much. The Cd—N (bime) lengths of 2.306 (2) and 2.324 (2)Å are corresponding to the values 2.2769 (17)Å in [Cd(bime)dca)₂]_n (dca = dicyanamide; Zhang, et al., 2005) and 2.2748 (18) Å in [Cd(phba)₂(bime)(H₂O)₂]_n (phba = 4-hydroxybenzoate; Zhang et al., 2008). There are two symmetry independent azide ligands and they both act in end-on (EO) bridging coordination mode. The EO-azide ligands are linear and asymmetric [bond angles N5—N6—N7 = 177.5 (3)° and N8—N9—N10 = 178.4 (3)°, bond lengths N5—N6 = 1.195 (3) Å, N6—N7 = 1.158 (3) Å, N8—N9 = 1.166 (3) Å and N9—N10 = 1.177 (4) Å].

The Cd—N (azide) bond lengths of 2.340 (2) to 2.397 (2)Å are similar to the corresponding values of 2.258 (7) and 2.335 (6) Å in [Cd(picolinato)(N₃]_n with only EO-azide (Mautner et al., 1997) and 2.404 (3) to 2.474 (3) Å in [Cd(N₃)(4-aba)(H₂O)]_n with µ-1,1,3-azide (4-abaH = 4-aminobenzoic acid; Chen & Chen, 2002). The cis N—Cd—N bond angles are in the range of 74.11 (9) to 98.95 (8)°, deviating much from 90°.

A pair of azide ligands bridge the Cd^II atoms to form a [Cd₂(N₃)₂] four-membered metallacycle. The neighboring metallacycles have a common Cd^II atom and form a one-dimensional inorganic zigzag chain [Cd(N₃)₂]_n (Fig. 2). The Cd1^···Cd1# and Cd1^···Cd1& separations via the EO-azide ligands are 3.6804 (7) and 3.7688 (7) Å, respectively. There is one symmetry independent bime ligand in (I). The bime ligands exhibits the anti-conformation with the torsion angle N1—C1—C2—N3 of 179.4 (2)°. The Cd^···Cd distances between Cd^II atoms bridged via bime ligands are 11.5566 (15) Å.

The bime ligands attached to the [Cd(N₃)₂]_n chain point in four different directions (Fig. 3) binding to adjacent [Cd(N₃)₂ chain and generating a three-dimensional network (Fig. 4).

Related literature top

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 top

An aqueous (20 mL) solution of Cd(NO₃)₂^.4H₂O (0.50 mmol) and NaN₃ (1.0 mmol) was added to one side of a "H-shape" tube, and a methanolic solution (20 mL) of bime (0.50 mmol) was added to the another side of the "H-shape" tube. Colourless crystal were obtained after about one month. Anal. Calcd. for C₈H₁₀CdN₁₀: C, 26.79; H, 2.81; N, 39.06%. Found: C, 26.68; H, 2.72; N, 38.98%.

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear (Rigaku, 2000); data reduction: CrystalClear (Rigaku, 2000); 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 (Sheldrick, 2008).

Figures top

	Fig. 1. The coordination environment of Cd1 in (I) with displacement ellipsoids drawn at the 50% probability level [symmetry codes: ( i) x - 1, -y + 3/2, z + 1/2; (ii) -x, -y + 1, -z + 1; (iii) -x + 1, -y + 1, -z + 1].
	Fig. 2. The one-dimensional inorganic chain with bridging EO-azide ligands running along the a axis.
	Fig. 3. Inorganic [Cd(N₃)₂]_n chains bridged by bime ligands.
	Fig. 4. A three-dimensional topology of (I). The long sticks represent the bime ligands and the short ones the pair of EO-azide ligands.

Poly[bis(µ-azido-κ²N¹:N¹)[µ-1,2-bis(imidazol-1- yl)ethane-κ²N³:N^3']cadmium] top

Crystal data top

[Cd(N₃)₂(C₈H₁₀N₄)]	F(000) = 704
M_r = 358.66	D_x = 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

Data collection top

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

Refinement top

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(F_o²) + (0.0271P)² + 1.003P] where P = (F_o² + 2F_c²)/3
2324 reflections	(Δ/σ)_max < 0.001
172 parameters	Δρ_max = 0.68 e Å⁻³
0 restraints	Δρ_min = −0.39 e Å⁻³

Crystal data top

[Cd(N₃)₂(C₈H₁₀N₄)]	V = 1273.2 (5) Å³
M_r = 358.66	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 6.4565 (14) Å	µ = 1.72 mm⁻¹
b = 18.874 (4) Å	T = 153 K
c = 10.449 (2) Å	0.36 × 0.17 × 0.15 mm
β = 90.485 (5)°

Data collection top

Rigaku Mercury CCD diffractometer	2324 independent reflections
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	2190 reflections with I > 2σ(I)
T_min = 0.576, T_max = 0.783	R_int = 0.029
12260 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.023	0 restraints
wR(F²) = 0.056	H-atom parameters constrained
S = 1.09	Δρ_max = 0.68 e Å⁻³
2324 reflections	Δρ_min = −0.39 e Å⁻³
172 parameters

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
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*

Atomic displacement parameters (Å²) top

	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)

Geometric parameters (Å, º) top

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—Cd1^iv	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—Cd1^iv	123.63 (18)	N3—C6—H6A	124.2
C7—N4—Cd1^iv	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)	Cd1^iv—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)	Cd1^iv—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)

Symmetry codes: (i) x−1, −y+3/2, z+1/2; (ii) −x, −y+1, −z+1; (iii) −x+1, −y+1, −z+1; (iv) x+1, −y+3/2, z−1/2.

Experimental details

Crystal data
Chemical formula	[Cd(N₃)₂(C₈H₁₀N₄)]
M_r	358.66
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	153
a, b, c (Å)	6.4565 (14), 18.874 (4), 10.449 (2)
β (°)	90.485 (5)
V (Å³)	1273.2 (5)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.72
Crystal size (mm)	0.36 × 0.17 × 0.15

Data collection
Diffractometer	Rigaku Mercury CCD diffractometer
Absorption correction	Multi-scan (REQAB; Jacobson, 1998)
T_min, T_max	0.576, 0.783
No. of measured, independent and observed [I > 2σ(I)] reflections	12260, 2324, 2190
R_int	0.029
(sin θ/λ)_max (Å⁻¹)	0.602

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.023, 0.056, 1.09
No. of reflections	2324
No. of parameters	172
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.68, −0.39

Computer programs: CrystalClear (Rigaku, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top

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

N2—Cd1—N5	91.57 (8)

Symmetry codes: (i) x−1, −y+3/2, z+1/2; (ii) −x, −y+1, −z+1; (iii) −x+1, −y+1, −z+1.

Acknowledgements

This work was supported by the Natural Science Foundation of China (grant Nos. 21171126, 20671066), and the Funds of the Key Laboratory of Organic Synthesis Chemistry, Jiangsu Province, People's Republic of China.

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