Bis(2,2′-bipyridine-κ2N,N′)dichloridocadmium(II)

Gao, S.; Ng, S.W.

doi:10.1107/S1600536810049251

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 12| December 2010| Page m1692

https://doi.org/10.1107/S1600536810049251

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Bis(2,2′-bipyridine-κ²N,N′)dichloridocadmium(II)

Shan Gao ^a and Seik Weng Ng ^b ^*

^aCollege of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
^*Correspondence e-mail: seikweng@um.edu.my

(Received 15 November 2010; accepted 25 November 2010; online 30 November 2010)

The Cd^II atom in the title compound, [CdCl₂(C₁₀H₈N₂)₂] exists in a distorted octahedral geometry [N—Cd—N = 148.29 (17)°]; the Cl atoms are cis with respect to each other.

Related literature

For polymeric dichlorido(2,2′-bipyridine)cadmium, see: Zhou et al. (2003 ).

Experimental

Crystal data

[CdCl₂(C₁₀H₈N₂)₂]
M_r = 495.67
Monoclinic, P 2₁ /c
a = 8.7477 (2) Å
b = 14.3541 (5) Å
c = 15.8723 (5) Å
β = 98.775 (1)°
V = 1969.68 (10) Å³
Z = 4
Mo Kα radiation
μ = 1.39 mm⁻¹
T = 293 K
0.18 × 0.15 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.788, T_max = 0.851
31202 measured reflections
4497 independent reflections
3047 reflections with I > 2σ(I)
R_int = 0.056

Refinement

R[F² > 2σ(F²)] = 0.053
wR(F²) = 0.186
S = 1.17
4497 reflections
245 parameters
H-atom parameters constrained
Δρ_max = 1.61 e Å⁻³
Δρ_min = −1.04 e Å⁻³

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: https://doi.org/10.1107/S1600536810049251/jh2233sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810049251/jh2233Isup2.hkl

checkCIF report

Comment top

The hydrothermal reaction of cadmium chloride and 2,2'-bipyridine yields the 1:1 adduct, which exists as a chlorine-bridged chain polymer. The cadmium atom exists in an octahedral geometry (Zhou et al., 2003). In the present 1:2 adduct (Scheme I, Fig. 1), the geometry is also an octahedron but the molecule exists as a discrete entity, without any bridging.

Related literature top

For polymeric dichlorido(2,2'-bipyridine)cadmium, see: Zhou et al. (2003).

Experimental top

Cadmium chloride (0.1 mmol), 2,2'-bipyridine (0.1 mmol) and benzoic acid (0.2 mmol) were dissolved in a water-ethanol-DMF mixture (15 ml). The solution was heated in a 25 ml, Teflon-lined, stainless-steel bomb at 383 K for 3 days. The cool solution was filtered and the solvent allowed to evaporate. Colorless crystals separated from solution after a few days.

Structure description top

For polymeric dichlorido(2,2'-bipyridine)cadmium, see: Zhou et al. (2003).

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

Fig. 1. Thermal ellipsoid plot (Barbour, 2001) of CdCl₂(C₁₀H₈N₂)₂ at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.

Bis(2,2'-bipyridine-κ²N,N')dichloridocadmium(II) top

Crystal data top

[CdCl₂(C₁₀H₈N₂)₂]	F(000) = 984
M_r = 495.67	D_x = 1.671 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 18413 reflections
a = 8.7477 (2) Å	θ = 3.1–27.4°
b = 14.3541 (5) Å	µ = 1.39 mm⁻¹
c = 15.8723 (5) Å	T = 293 K
β = 98.775 (1)°	Block, colorless
V = 1969.68 (10) Å³	0.18 × 0.15 × 0.12 mm
Z = 4

Data collection top

Rigaku R-AXIS RAPID diffractometer	4497 independent reflections
Radiation source: fine-focus sealed tube	3047 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.056
Detector resolution: 10.000 pixels mm^-1	θ_max = 27.4°, θ_min = 3.1°
ω scans	h = −11→10
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −18→18
T_min = 0.788, T_max = 0.851	l = −20→20
31202 measured reflections

Refinement top

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)] = 0.053	H-atom parameters constrained
wR(F²) = 0.186	w = 1/[σ²(F_o²) + (0.1002P)² + 1.1952P] where P = (F_o² + 2F_c²)/3
S = 1.17	(Δ/σ)_max = 0.001
4497 reflections	Δρ_max = 1.61 e Å⁻³
245 parameters	Δρ_min = −1.04 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: 0.0073 (12)

Crystal data top

[CdCl₂(C₁₀H₈N₂)₂]	V = 1969.68 (10) Å³
M_r = 495.67	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.7477 (2) Å	µ = 1.39 mm⁻¹
b = 14.3541 (5) Å	T = 293 K
c = 15.8723 (5) Å	0.18 × 0.15 × 0.12 mm
β = 98.775 (1)°

Data collection top

Rigaku R-AXIS RAPID diffractometer	4497 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	3047 reflections with I > 2σ(I)
T_min = 0.788, T_max = 0.851	R_int = 0.056
31202 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.053	0 restraints
wR(F²) = 0.186	H-atom parameters constrained
S = 1.17	Δρ_max = 1.61 e Å⁻³
4497 reflections	Δρ_min = −1.04 e Å⁻³
245 parameters

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

	x	y	z	U_iso*/U_eq
Cd1	0.69488 (4)	0.77175 (3)	0.53520 (3)	0.0434 (2)
Cl1	0.4692 (2)	0.77680 (12)	0.41696 (13)	0.0690 (5)
Cl2	0.6158 (2)	0.88210 (14)	0.64297 (14)	0.0766 (6)
N1	0.9503 (6)	0.7787 (3)	0.6172 (3)	0.0471 (12)
N2	0.8703 (5)	0.8562 (3)	0.4634 (3)	0.0445 (11)
N3	0.7797 (6)	0.6284 (4)	0.4710 (3)	0.0504 (12)
N4	0.6420 (5)	0.6347 (4)	0.6118 (3)	0.0492 (12)
C1	0.9828 (8)	0.7475 (5)	0.6967 (4)	0.0565 (16)
H1	0.9028	0.7215	0.7213	0.068*
C2	1.1294 (9)	0.7513 (5)	0.7455 (5)	0.0645 (19)
H2	1.1465	0.7301	0.8015	0.077*
C3	1.2469 (9)	0.7873 (5)	0.7080 (5)	0.068 (2)
H3	1.3470	0.7892	0.7379	0.081*
C4	1.2168 (7)	0.8207 (5)	0.6260 (5)	0.0622 (17)
H4	1.2961	0.8455	0.6001	0.075*
C5	1.0667 (6)	0.8170 (4)	0.5820 (4)	0.0463 (13)
C6	1.0215 (6)	0.8603 (4)	0.4967 (4)	0.0455 (13)
C7	1.1268 (7)	0.9075 (5)	0.4553 (4)	0.0576 (16)
H7	1.2309	0.9093	0.4787	0.069*
C8	1.0756 (8)	0.9521 (5)	0.3786 (4)	0.0661 (19)
H8	1.1450	0.9838	0.3500	0.079*
C9	0.9192 (9)	0.9489 (5)	0.3451 (4)	0.0652 (18)
H9	0.8808	0.9789	0.2944	0.078*
C10	0.8230 (8)	0.8991 (5)	0.3903 (4)	0.0548 (15)
H10	0.7185	0.8956	0.3678	0.066*
C11	0.8480 (8)	0.6289 (5)	0.4022 (4)	0.0635 (18)
H11	0.8691	0.6861	0.3790	0.076*
C12	0.8900 (9)	0.5483 (7)	0.3628 (5)	0.080 (2)
H12	0.9375	0.5513	0.3143	0.096*
C13	0.8595 (9)	0.4645 (6)	0.3976 (5)	0.079 (3)
H13	0.8872	0.4092	0.3733	0.095*
C14	0.7875 (8)	0.4625 (5)	0.4688 (5)	0.066 (2)
H14	0.7663	0.4060	0.4931	0.080*
C15	0.7461 (7)	0.5474 (4)	0.5046 (4)	0.0493 (14)
C16	0.6667 (6)	0.5509 (4)	0.5800 (4)	0.0470 (14)
C17	0.6114 (8)	0.4700 (5)	0.6166 (5)	0.0648 (18)
H17	0.6267	0.4116	0.5939	0.078*
C18	0.5352 (8)	0.4779 (6)	0.6858 (5)	0.074 (2)
H18	0.4980	0.4251	0.7100	0.089*
C19	0.5145 (8)	0.5644 (6)	0.7189 (5)	0.068 (2)
H19	0.4647	0.5716	0.7662	0.081*
C20	0.5707 (7)	0.6415 (5)	0.6792 (4)	0.0584 (16)
H20	0.5573	0.7004	0.7014	0.070*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0380 (3)	0.0474 (3)	0.0449 (3)	−0.00430 (17)	0.00717 (18)	−0.00333 (18)
Cl1	0.0532 (9)	0.0678 (11)	0.0776 (12)	0.0016 (8)	−0.0165 (9)	−0.0071 (9)
Cl2	0.0647 (10)	0.0750 (12)	0.0984 (14)	−0.0204 (9)	0.0392 (10)	−0.0371 (11)
N1	0.041 (3)	0.056 (3)	0.042 (3)	−0.001 (2)	−0.001 (2)	0.001 (2)
N2	0.038 (2)	0.050 (3)	0.045 (3)	−0.008 (2)	0.0037 (19)	0.003 (2)
N3	0.051 (3)	0.055 (3)	0.045 (3)	0.002 (2)	0.008 (2)	−0.001 (2)
N4	0.047 (3)	0.051 (3)	0.050 (3)	−0.009 (2)	0.006 (2)	0.001 (2)
C1	0.044 (3)	0.071 (4)	0.053 (4)	−0.005 (3)	0.000 (3)	−0.001 (3)
C2	0.072 (5)	0.060 (4)	0.055 (4)	0.008 (3)	−0.011 (4)	−0.005 (3)
C3	0.055 (4)	0.064 (4)	0.078 (5)	0.002 (3)	−0.013 (4)	−0.003 (4)
C4	0.038 (3)	0.067 (4)	0.080 (5)	−0.012 (3)	0.001 (3)	−0.003 (4)
C5	0.036 (3)	0.046 (3)	0.057 (3)	0.004 (2)	0.005 (2)	−0.004 (3)
C6	0.043 (3)	0.049 (3)	0.047 (3)	0.001 (2)	0.015 (2)	−0.011 (3)
C7	0.050 (3)	0.059 (4)	0.067 (4)	−0.018 (3)	0.020 (3)	−0.001 (3)
C8	0.075 (5)	0.064 (4)	0.066 (4)	−0.021 (4)	0.032 (4)	−0.001 (3)
C9	0.083 (5)	0.061 (4)	0.053 (4)	−0.006 (4)	0.014 (3)	0.004 (3)
C10	0.058 (4)	0.061 (4)	0.044 (3)	−0.009 (3)	0.006 (3)	0.009 (3)
C11	0.071 (4)	0.066 (4)	0.059 (4)	0.005 (4)	0.024 (3)	−0.009 (3)
C12	0.078 (5)	0.092 (7)	0.070 (5)	0.013 (5)	0.016 (4)	−0.030 (5)
C13	0.072 (5)	0.080 (6)	0.083 (6)	0.024 (4)	0.003 (4)	−0.042 (5)
C14	0.066 (4)	0.047 (4)	0.080 (5)	0.008 (3)	−0.007 (4)	−0.014 (3)
C15	0.045 (3)	0.046 (3)	0.054 (3)	0.002 (3)	−0.003 (3)	−0.006 (3)
C16	0.039 (3)	0.045 (3)	0.052 (3)	−0.005 (2)	−0.007 (2)	0.005 (3)
C17	0.062 (4)	0.049 (4)	0.079 (5)	−0.011 (3)	−0.002 (4)	0.018 (3)
C18	0.057 (4)	0.076 (5)	0.085 (5)	−0.018 (4)	−0.001 (4)	0.037 (5)
C19	0.054 (4)	0.092 (6)	0.054 (4)	−0.015 (4)	−0.002 (3)	0.018 (4)
C20	0.054 (3)	0.075 (5)	0.049 (3)	−0.011 (3)	0.017 (3)	0.001 (3)

Geometric parameters (Å, º) top

Cd1—N2	2.378 (5)	C7—C8	1.388 (9)
Cd1—N4	2.394 (5)	C7—H7	0.9300
Cd1—N1	2.410 (5)	C8—C9	1.391 (10)
Cd1—N3	2.461 (5)	C8—H8	0.9300
Cd1—Cl2	2.5049 (18)	C9—C10	1.385 (9)
Cd1—Cl1	2.5087 (18)	C9—H9	0.9300
N1—C1	1.327 (8)	C10—H10	0.9300
N1—C5	1.351 (8)	C11—C12	1.392 (10)
N2—C10	1.323 (7)	C11—H11	0.9300
N2—C6	1.349 (7)	C12—C13	1.366 (13)
N3—C11	1.322 (8)	C12—H12	0.9300
N3—C15	1.330 (8)	C13—C14	1.375 (10)
N4—C20	1.322 (8)	C13—H13	0.9300
N4—C16	1.335 (8)	C14—C15	1.415 (9)
C1—C2	1.395 (10)	C14—H14	0.9300
C1—H1	0.9300	C15—C16	1.472 (10)
C2—C3	1.365 (11)	C16—C17	1.417 (9)
C2—H2	0.9300	C17—C18	1.374 (11)
C3—C4	1.375 (10)	C17—H17	0.9300
C3—H3	0.9300	C18—C19	1.370 (12)
C4—C5	1.391 (8)	C18—H18	0.9300
C4—H4	0.9300	C19—C20	1.399 (10)
C5—C6	1.487 (8)	C19—H19	0.9300
C6—C7	1.387 (8)	C20—H20	0.9300

N2—Cd1—N4	148.29 (17)	C7—C6—C5	122.2 (5)
N2—Cd1—N1	67.98 (16)	C6—C7—C8	119.5 (6)
N4—Cd1—N1	89.69 (16)	C6—C7—H7	120.2
N2—Cd1—N3	88.30 (17)	C8—C7—H7	120.2
N4—Cd1—N3	67.48 (19)	C7—C8—C9	119.1 (6)
N1—Cd1—N3	86.83 (16)	C7—C8—H8	120.5
N2—Cd1—Cl2	105.71 (13)	C9—C8—H8	120.5
N4—Cd1—Cl2	94.47 (13)	C10—C9—C8	117.4 (6)
N1—Cd1—Cl2	86.28 (13)	C10—C9—H9	121.3
N3—Cd1—Cl2	160.70 (13)	C8—C9—H9	121.3
N2—Cd1—Cl1	96.80 (12)	N2—C10—C9	124.1 (6)
N4—Cd1—Cl1	102.28 (12)	N2—C10—H10	117.9
N1—Cd1—Cl1	164.08 (14)	C9—C10—H10	117.9
N3—Cd1—Cl1	88.10 (12)	N3—C11—C12	123.4 (8)
Cl2—Cd1—Cl1	102.99 (7)	N3—C11—H11	118.3
C1—N1—C5	117.7 (5)	C12—C11—H11	118.3
C1—N1—Cd1	123.1 (4)	C13—C12—C11	118.0 (7)
C5—N1—Cd1	119.2 (4)	C13—C12—H12	121.0
C10—N2—C6	118.7 (5)	C11—C12—H12	121.0
C10—N2—Cd1	121.3 (4)	C12—C13—C14	119.5 (7)
C6—N2—Cd1	120.0 (4)	C12—C13—H13	120.3
C11—N3—C15	119.5 (6)	C14—C13—H13	120.3
C11—N3—Cd1	122.7 (5)	C13—C14—C15	119.4 (7)
C15—N3—Cd1	117.7 (4)	C13—C14—H14	120.3
C20—N4—C16	119.7 (6)	C15—C14—H14	120.3
C20—N4—Cd1	120.2 (5)	N3—C15—C14	120.3 (6)
C16—N4—Cd1	119.6 (4)	N3—C15—C16	117.2 (5)
N1—C1—C2	124.1 (7)	C14—C15—C16	122.5 (6)
N1—C1—H1	118.0	N4—C16—C17	119.9 (6)
C2—C1—H1	118.0	N4—C16—C15	117.4 (5)
C3—C2—C1	117.5 (7)	C17—C16—C15	122.6 (6)
C3—C2—H2	121.2	C18—C17—C16	119.9 (7)
C1—C2—H2	121.2	C18—C17—H17	120.1
C2—C3—C4	119.8 (7)	C16—C17—H17	120.1
C2—C3—H3	120.1	C19—C18—C17	119.3 (7)
C4—C3—H3	120.1	C19—C18—H18	120.3
C3—C4—C5	119.4 (6)	C17—C18—H18	120.3
C3—C4—H4	120.3	C18—C19—C20	117.9 (7)
C5—C4—H4	120.3	C18—C19—H19	121.0
N1—C5—C4	121.5 (6)	C20—C19—H19	121.0
N1—C5—C6	115.8 (5)	N4—C20—C19	123.2 (7)
C4—C5—C6	122.7 (6)	N4—C20—H20	118.4
N2—C6—C7	121.2 (6)	C19—C20—H20	118.4
N2—C6—C5	116.5 (5)

N2—Cd1—N1—C1	173.2 (5)	Cd1—N1—C5—C4	−178.5 (5)
N4—Cd1—N1—C1	−29.9 (5)	C1—N1—C5—C6	−173.5 (5)
N3—Cd1—N1—C1	−97.4 (5)	Cd1—N1—C5—C6	5.6 (7)
Cl2—Cd1—N1—C1	64.6 (5)	C3—C4—C5—N1	−2.1 (10)
Cl1—Cd1—N1—C1	−169.0 (4)	C3—C4—C5—C6	173.6 (6)
N2—Cd1—N1—C5	−5.8 (4)	C10—N2—C6—C7	−0.7 (9)
N4—Cd1—N1—C5	151.1 (4)	Cd1—N2—C6—C7	178.7 (5)
N3—Cd1—N1—C5	83.6 (4)	C10—N2—C6—C5	175.5 (5)
Cl2—Cd1—N1—C5	−114.4 (4)	Cd1—N2—C6—C5	−5.0 (7)
Cl1—Cd1—N1—C5	12.0 (8)	N1—C5—C6—N2	−0.4 (8)
N4—Cd1—N2—C10	136.8 (5)	C4—C5—C6—N2	−176.3 (6)
N1—Cd1—N2—C10	−175.0 (5)	N1—C5—C6—C7	175.8 (6)
N3—Cd1—N2—C10	97.8 (5)	C4—C5—C6—C7	−0.1 (10)
Cl2—Cd1—N2—C10	−95.7 (5)	N2—C6—C7—C8	0.6 (10)
Cl1—Cd1—N2—C10	9.9 (5)	C5—C6—C7—C8	−175.4 (6)
N4—Cd1—N2—C6	−42.7 (6)	C6—C7—C8—C9	0.3 (11)
N1—Cd1—N2—C6	5.6 (4)	C7—C8—C9—C10	−1.2 (11)
N3—Cd1—N2—C6	−81.7 (4)	C6—N2—C10—C9	−0.2 (10)
Cl2—Cd1—N2—C6	84.9 (4)	Cd1—N2—C10—C9	−179.6 (5)
Cl1—Cd1—N2—C6	−169.5 (4)	C8—C9—C10—N2	1.1 (11)
N2—Cd1—N3—C11	−20.4 (5)	C15—N3—C11—C12	−1.1 (11)
N4—Cd1—N3—C11	−179.4 (5)	Cd1—N3—C11—C12	−176.8 (6)
N1—Cd1—N3—C11	−88.4 (5)	N3—C11—C12—C13	−0.4 (12)
Cl2—Cd1—N3—C11	−157.7 (4)	C11—C12—C13—C14	0.8 (12)
Cl1—Cd1—N3—C11	76.5 (5)	C12—C13—C14—C15	0.1 (11)
N2—Cd1—N3—C15	163.8 (4)	C11—N3—C15—C14	2.0 (9)
N4—Cd1—N3—C15	4.8 (4)	Cd1—N3—C15—C14	178.0 (4)
N1—Cd1—N3—C15	95.7 (4)	C11—N3—C15—C16	−178.6 (5)
Cl2—Cd1—N3—C15	26.5 (7)	Cd1—N3—C15—C16	−2.6 (7)
Cl1—Cd1—N3—C15	−99.4 (4)	C13—C14—C15—N3	−1.6 (10)
N2—Cd1—N4—C20	138.8 (4)	C13—C14—C15—C16	179.0 (6)
N1—Cd1—N4—C20	95.0 (5)	C20—N4—C16—C17	2.3 (9)
N3—Cd1—N4—C20	−178.3 (5)	Cd1—N4—C16—C17	−169.2 (4)
Cl2—Cd1—N4—C20	8.7 (5)	C20—N4—C16—C15	179.8 (5)
Cl1—Cd1—N4—C20	−95.6 (4)	Cd1—N4—C16—C15	8.3 (7)
N2—Cd1—N4—C16	−49.8 (6)	N3—C15—C16—N4	−3.6 (8)
N1—Cd1—N4—C16	−93.6 (4)	C14—C15—C16—N4	175.8 (5)
N3—Cd1—N4—C16	−6.9 (4)	N3—C15—C16—C17	173.8 (5)
Cl2—Cd1—N4—C16	−179.8 (4)	C14—C15—C16—C17	−6.8 (10)
Cl1—Cd1—N4—C16	75.9 (4)	N4—C16—C17—C18	−1.2 (9)
C5—N1—C1—C2	−0.5 (10)	C15—C16—C17—C18	−178.6 (6)
Cd1—N1—C1—C2	−179.6 (5)	C16—C17—C18—C19	−0.4 (10)
N1—C1—C2—C3	−1.7 (11)	C17—C18—C19—C20	1.0 (10)
C1—C2—C3—C4	2.1 (11)	C16—N4—C20—C19	−1.8 (10)
C2—C3—C4—C5	−0.3 (11)	Cd1—N4—C20—C19	169.6 (5)
C1—N1—C5—C4	2.5 (9)	C18—C19—C20—N4	0.1 (11)

Experimental details

Crystal data
Chemical formula	[CdCl₂(C₁₀H₈N₂)₂]
M_r	495.67
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	8.7477 (2), 14.3541 (5), 15.8723 (5)
β (°)	98.775 (1)
V (Å³)	1969.68 (10)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.39
Crystal size (mm)	0.18 × 0.15 × 0.12

Data collection
Diffractometer	Rigaku R-AXIS RAPID
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.788, 0.851
No. of measured, independent and observed [I > 2σ(I)] reflections	31202, 4497, 3047
R_int	0.056
(sin θ/λ)_max (Å⁻¹)	0.648

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.053, 0.186, 1.17
No. of reflections	4497
No. of parameters	245
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.61, −1.04

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalStructure (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).

Acknowledgements

We thank the Key Project of the Natural Science Foundation of Heilongjiang Province (No. ZD200903) and the Innovation Team of the Education Bureau of Heilongjiang Province (No. 2010 t d03), Heilongjiang University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191. CrossRef CAS Google Scholar
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA. Google Scholar
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