Poly[di-μ2-chlorido-μ2-(1,4-dioxane-κ2O:O′)-cadmium(II)]

Wang, J.-Q.; Du, R.-J.; Wang, W.; Luan, C.-J.; Guo, C.

doi:10.1107/S1600536810048634

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 12| December 2010| Page m1682

https://doi.org/10.1107/S1600536810048634

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Poly[di-μ₂-chlorido-μ₂-(1,4-dioxane-κ²O:O′)-cadmium(II)]

Jian-Qiang Wang,^a Ren-Jun Du,^a Wei Wang,^a Chang-Jun Luan ^a and Cheng Guo ^a ^*

^aDepartment of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China
^*Correspondence e-mail: guocheng@njut.edu.cn

(Received 10 November 2010; accepted 22 November 2010; online 27 November 2010)

In the title complex, [CdCl₂(C₄H₈O₂)]_n, two different Cd^II ions are present, one in a general position and one with site symmetry 2. The Cd^II ions are coordinated by two O atoms from two 1,4-dioxane ligands and four chloride anions in a slightly distorted octahedral geometry and is connected to neighboring Cd^II ions by two bridging chloride anions, generating infinite linear chains along the a axis. These chains are further interconnected by bridging 1,4-dioxane ligands, affording a three-dimensional network.

Related literature

For background to Cd^II complexes, see: Liu et al. (2009 ); Melnik et al. (2009 ); Paul et al. (2010 ); Tatsuya et al. (2008 ); Xu et al. (2009 ).

Experimental

Crystal data

[CdCl₂(C₄H₈O₂)]
M_r = 271.40
Monoclinic, C 2/c
a = 15.145 (2) Å
b = 13.8871 (18) Å
c = 11.5943 (16) Å
β = 102.865 (2)°
V = 2377.3 (5) Å³
Z = 12
Mo Kα radiation
μ = 3.36 mm⁻¹
T = 295 K
0.21 × 0.21 × 0.16 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ) T_min = 0.500, T_max = 0.584
7087 measured reflections
2336 independent reflections
2172 reflections with I > 2σ(I)
R_int = 0.018

Refinement

R[F² > 2σ(F²)] = 0.019
wR(F²) = 0.105
S = 1.06
2336 reflections
123 parameters
H-atom parameters constrained
Δρ_max = 0.69 e Å⁻³
Δρ_min = −0.91 e Å⁻³

Data collection: APEX2 (Bruker, 2007 ); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005 ); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810048634/vm2060sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810048634/vm2060Isup2.hkl

checkCIF report

Comment top

In the past decade, the design and synthesis of novel cadmium(II) complexes have aroused worldwide interest in the fields of crystal engineering and material chemistry (Melnik et al., 2009). This is due to their intriguing structural features and tailor-made applications as functional materials in chemical catalysis (Paul et al., 2010), gas separation and storage (Liu et al., 2009), luminescence (Tatsuya et al., 2008), and ion-exchange (Xu et al., 2009). During our efforts to investigate the assembly of cadmium(II)-organic coordination frameworks, a new polymer, namely [Cd₃Cl₆(dioxane)₃]_n, (I), was generated accidentally under normal conditions, and the crystal structure of (I) is described here.

The fundamental building unit of (I) is composed of three Cd^II centers, six chlorine anions, and three dioxane ligands. Each Cd^II ion adopts a six-coordinated octahedral geometry by coordination to two oxygen donors from two dioxane molecules with Cd—O distances of 2.366 (3) Å and 2.395 (3) Å, and four chlorine atoms with Cd—Cl distances in the range of 2.5628 (10)–2.6252 (11) Å (Fig. 1). Each dioxane ring possesses a chair configuration and bridges two Cd^II ions to form an infinite zigzag chain along the [100] direction. Within the zigzag chain, the distance between successive Cd^II ions is 7.6093 (8) Å, and the closest Cd—Cd separation between the neighboring strands is 3.7460 (5) Å. Notably, each Cd^II ion is also connected with the neighboring Cd^II ions by two chlorine anions, thus generating a one-dimensional linear network. These infinite linear chains are further interconnected by bridging dioxane ligands to afford the resulting three-dimensional network (Fig. 2).

Related literature top

For background to Cd^II complexes, see: Liu et al. (2009); Melnik et al. (2009); Paul et al. (2010); Tatsuya et al. (2008); Xu et al. (2009).

Experimental top

A mixture of 1,4-bis(triazol-1-yl-methyl)benzene (48.0 mg, 0.2 mmol) and CdCl₂.2.5H₂O (45.7 mg, 0.2 mmol) was dissolved in the dioxane/H₂O (10 ml, 1:1) solvent media with stirring for ca 30 min, and then the resultant colorless solution was filtered. Upon slow evaporation of the filtrate under ambient conditions, block colorless single crystals suitable for X-ray analysis were obtained over a period of two weeks in a yield of 63%. Elemental analysis (%) calcd for C₁₂H₂₄Cd₃Cl₆O₆: C, 17.70; H, 2.97; Found: C, 17.75; H, 2.97.

Structure description top

For background to Cd^II complexes, see: Liu et al. (2009); Melnik et al. (2009); Paul et al. (2010); Tatsuya et al. (2008); Xu et al. (2009).

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. A view of the molecule of (I). Displacement ellipsoids are drawn at the 30% probability level. Symmetry code: (A) -x + 1/2, -y + 1/2, -z + 1.
	Fig. 2. A diagram of the unit cell packing showing the three-dimensional network structure.

Poly[di-µ₂-chlorido-µ₂-(1,4-dioxane-κ²O:O')-cadmium(II)] top

Crystal data top

[CdCl₂(C₄H₈O₂)]	F(000) = 1560
M_r = 271.40	D_x = 2.275 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 5312 reflections
a = 15.145 (2) Å	θ = 2.8–30.3°
b = 13.8871 (18) Å	µ = 3.36 mm⁻¹
c = 11.5943 (16) Å	T = 295 K
β = 102.865 (2)°	Block, colorless
V = 2377.3 (5) Å³	0.21 × 0.21 × 0.16 mm
Z = 12

Data collection top

Bruker APEXII CCD diffractometer	2336 independent reflections
Radiation source: fine-focus sealed tube	2172 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.018
φ and ω scans	θ_max = 26.0°, θ_min = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −18→15
T_min = 0.500, T_max = 0.584	k = −17→17
7087 measured reflections	l = −14→14

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)] = 0.019	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.105	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.085P)² + 0.3305P] where P = (F_o² + 2F_c²)/3
2336 reflections	(Δ/σ)_max = 0.001
123 parameters	Δρ_max = 0.69 e Å⁻³
0 restraints	Δρ_min = −0.91 e Å⁻³

Crystal data top

[CdCl₂(C₄H₈O₂)]	V = 2377.3 (5) Å³
M_r = 271.40	Z = 12
Monoclinic, C2/c	Mo Kα radiation
a = 15.145 (2) Å	µ = 3.36 mm⁻¹
b = 13.8871 (18) Å	T = 295 K
c = 11.5943 (16) Å	0.21 × 0.21 × 0.16 mm
β = 102.865 (2)°

Data collection top

Bruker APEXII CCD diffractometer	2336 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	2172 reflections with I > 2σ(I)
T_min = 0.500, T_max = 0.584	R_int = 0.018
7087 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.019	0 restraints
wR(F²) = 0.105	H-atom parameters constrained
S = 1.06	Δρ_max = 0.69 e Å⁻³
2336 reflections	Δρ_min = −0.91 e Å⁻³
123 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	0.330474 (14)	0.189847 (18)	0.421324 (19)	0.02267 (15)
Cd2	0.5000	0.27411 (3)	0.2500	0.02297 (16)
C1	0.3234 (2)	0.4003 (3)	0.0979 (3)	0.0326 (8)
H1A	0.2736	0.3744	0.1282	0.039*
H1B	0.3363	0.3559	0.0391	0.039*
C2	0.3835 (3)	0.4763 (3)	0.2794 (3)	0.0301 (8)
H2A	0.4365	0.4832	0.3435	0.036*
H2B	0.3344	0.4514	0.3121	0.036*
C3	0.4236 (2)	−0.0363 (3)	0.4210 (3)	0.0285 (8)
H3A	0.3812	−0.0333	0.3449	0.034*
H3B	0.4074	−0.0909	0.4642	0.034*
C4	0.4829 (2)	0.0496 (3)	0.5972 (3)	0.0299 (8)
H4A	0.4685	−0.0025	0.6457	0.036*
H4B	0.4795	0.1096	0.6387	0.036*
C5	0.2025 (3)	−0.0029 (3)	0.4581 (3)	0.0311 (8)
H5A	0.1532	0.0221	0.4904	0.037*
H5B	0.2554	−0.0097	0.5225	0.037*
C6	0.1427 (3)	0.0732 (3)	0.2772 (3)	0.0339 (9)
H6A	0.1552	0.1178	0.2186	0.041*
H6B	0.0930	0.0989	0.3081	0.041*
Cl1	0.35989 (6)	0.16305 (8)	0.20972 (8)	0.0297 (2)
Cl2	0.47678 (7)	0.29108 (8)	0.46654 (8)	0.0297 (2)
Cl3	0.30007 (7)	0.18952 (6)	0.63572 (8)	0.0278 (2)
O1	0.40258 (16)	0.41052 (19)	0.1933 (2)	0.0291 (6)
O2	0.41779 (16)	0.05092 (19)	0.4859 (2)	0.0307 (6)
O3	0.22192 (17)	0.06271 (19)	0.3719 (2)	0.0314 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0198 (2)	0.0212 (2)	0.0288 (2)	0.00012 (9)	0.00928 (14)	−0.00097 (9)
Cd2	0.0207 (2)	0.0212 (3)	0.0288 (2)	0.000	0.00941 (16)	0.000
C1	0.0313 (19)	0.032 (2)	0.0322 (18)	0.0103 (16)	0.0017 (15)	−0.0036 (16)
C2	0.0341 (19)	0.029 (2)	0.0252 (16)	0.0101 (16)	0.0032 (15)	−0.0018 (15)
C3	0.0250 (18)	0.0258 (18)	0.0333 (18)	0.0023 (15)	0.0035 (15)	−0.0029 (15)
C4	0.0287 (18)	0.033 (2)	0.0264 (16)	0.0106 (16)	0.0029 (14)	−0.0025 (15)
C5	0.0317 (19)	0.036 (2)	0.0258 (16)	−0.0106 (17)	0.0077 (15)	0.0006 (15)
C6	0.036 (2)	0.028 (2)	0.0342 (19)	−0.0066 (17)	−0.0002 (16)	0.0032 (16)
Cl1	0.0298 (5)	0.0317 (5)	0.0299 (4)	−0.0078 (4)	0.0115 (4)	−0.0060 (4)
Cl2	0.0284 (5)	0.0333 (5)	0.0285 (5)	−0.0085 (4)	0.0083 (4)	−0.0019 (4)
Cl3	0.0282 (5)	0.0283 (5)	0.0291 (5)	0.0062 (3)	0.0113 (4)	0.0015 (3)
O1	0.0286 (13)	0.0291 (15)	0.0285 (12)	0.0113 (11)	0.0043 (10)	−0.0019 (11)
O2	0.0263 (13)	0.0311 (15)	0.0313 (13)	0.0114 (11)	−0.0012 (10)	−0.0072 (11)
O3	0.0309 (14)	0.0279 (14)	0.0319 (13)	−0.0110 (12)	0.0000 (11)	0.0023 (11)

Geometric parameters (Å, º) top

Cd1—O2	2.364 (2)	C2—H2B	0.9700
Cd1—O3	2.393 (2)	C3—O2	1.439 (4)
Cd1—Cl3ⁱ	2.5634 (10)	C3—C4^iv	1.489 (5)
Cd1—Cl2	2.5775 (10)	C3—H3A	0.9700
Cd1—Cl1	2.6158 (10)	C3—H3B	0.9700
Cd1—Cl3	2.6269 (10)	C4—O2	1.438 (4)
Cd2—O1	2.401 (2)	C4—C3^iv	1.489 (5)
Cd2—O1ⁱⁱ	2.401 (2)	C4—H4A	0.9700
Cd2—Cl1	2.5804 (10)	C4—H4B	0.9700
Cd2—Cl1ⁱⁱ	2.5804 (10)	C5—O3	1.431 (4)
Cd2—Cl2ⁱⁱ	2.6222 (10)	C5—C1^v	1.506 (5)
Cd2—Cl2	2.6222 (10)	C5—H5A	0.9700
C1—O1	1.446 (4)	C5—H5B	0.9700
C1—C5ⁱⁱⁱ	1.506 (5)	C6—O3	1.442 (4)
C1—H1A	0.9700	C6—C2^v	1.511 (5)
C1—H1B	0.9700	C6—H6A	0.9700
C2—O1	1.429 (4)	C6—H6B	0.9700
C2—C6ⁱⁱⁱ	1.511 (5)	Cl3—Cd1ⁱ	2.5634 (10)
C2—H2A	0.9700

O2—Cd1—O3	77.28 (9)	O1—C2—H2B	109.7
O2—Cd1—Cl3ⁱ	163.70 (7)	C6ⁱⁱⁱ—C2—H2B	109.7
O3—Cd1—Cl3ⁱ	88.35 (7)	H2A—C2—H2B	108.2
O2—Cd1—Cl2	89.19 (7)	O2—C3—C4^iv	110.4 (3)
O3—Cd1—Cl2	164.70 (7)	O2—C3—H3A	109.6
Cl3ⁱ—Cd1—Cl2	105.95 (4)	C4^iv—C3—H3A	109.6
O2—Cd1—Cl1	88.92 (6)	O2—C3—H3B	109.6
O3—Cd1—Cl1	85.52 (6)	C4^iv—C3—H3B	109.6
Cl3ⁱ—Cd1—Cl1	97.68 (3)	H3A—C3—H3B	108.1
Cl2—Cd1—Cl1	87.14 (3)	O2—C4—C3^iv	111.0 (3)
O2—Cd1—Cl3	84.39 (6)	O2—C4—H4A	109.4
O3—Cd1—Cl3	88.25 (6)	C3^iv—C4—H4A	109.4
Cl3ⁱ—Cd1—Cl3	87.58 (3)	O2—C4—H4B	109.4
Cl2—Cd1—Cl3	97.60 (3)	C3^iv—C4—H4B	109.4
Cl1—Cd1—Cl3	171.72 (3)	H4A—C4—H4B	108.0
O1—Cd2—O1ⁱⁱ	75.83 (12)	O3—C5—C1^v	110.0 (3)
O1—Cd2—Cl1	89.52 (7)	O3—C5—H5A	109.7
O1ⁱⁱ—Cd2—Cl1	162.08 (7)	C1^v—C5—H5A	109.7
O1—Cd2—Cl1ⁱⁱ	162.08 (7)	O3—C5—H5B	109.7
O1ⁱⁱ—Cd2—Cl1ⁱⁱ	89.52 (7)	C1^v—C5—H5B	109.7
Cl1—Cd2—Cl1ⁱⁱ	106.59 (5)	H5A—C5—H5B	108.2
O1—Cd2—Cl2ⁱⁱ	82.66 (6)	O3—C6—C2^v	109.5 (3)
O1ⁱⁱ—Cd2—Cl2ⁱⁱ	89.20 (6)	O3—C6—H6A	109.8
Cl1—Cd2—Cl2ⁱⁱ	99.24 (3)	C2^v—C6—H6A	109.8
Cl1ⁱⁱ—Cd2—Cl2ⁱⁱ	86.95 (3)	O3—C6—H6B	109.8
O1—Cd2—Cl2	89.20 (6)	C2^v—C6—H6B	109.8
O1ⁱⁱ—Cd2—Cl2	82.66 (6)	H6A—C6—H6B	108.2
Cl1—Cd2—Cl2	86.95 (3)	Cd2—Cl1—Cd1	92.87 (3)
Cl1ⁱⁱ—Cd2—Cl2	99.24 (3)	Cd1—Cl2—Cd2	92.79 (3)
Cl2ⁱⁱ—Cd2—Cl2	169.69 (5)	Cd1ⁱ—Cl3—Cd1	92.42 (3)
O1—C1—C5ⁱⁱⁱ	109.5 (3)	C2—O1—C1	109.6 (3)
O1—C1—H1A	109.8	C2—O1—Cd2	121.4 (2)
C5ⁱⁱⁱ—C1—H1A	109.8	C1—O1—Cd2	119.1 (2)
O1—C1—H1B	109.8	C4—O2—C3	110.4 (3)
C5ⁱⁱⁱ—C1—H1B	109.8	C4—O2—Cd1	121.2 (2)
H1A—C1—H1B	108.2	C3—O2—Cd1	128.02 (19)
O1—C2—C6ⁱⁱⁱ	109.9 (3)	C5—O3—C6	109.3 (3)
O1—C2—H2A	109.7	C5—O3—Cd1	122.7 (2)
C6ⁱⁱⁱ—C2—H2A	109.7	C6—O3—Cd1	121.3 (2)

O1—Cd2—Cl1—Cd1	−85.54 (6)	Cl1—Cd2—O1—C1	−36.6 (2)
O1ⁱⁱ—Cd2—Cl1—Cd1	−50.8 (2)	Cl1ⁱⁱ—Cd2—O1—C1	117.8 (3)
Cl1ⁱⁱ—Cd2—Cl1—Cd1	102.42 (3)	Cl2ⁱⁱ—Cd2—O1—C1	62.8 (2)
Cl2ⁱⁱ—Cd2—Cl1—Cd1	−168.02 (3)	Cl2—Cd2—O1—C1	−123.6 (2)
Cl2—Cd2—Cl1—Cd1	3.68 (3)	C3^iv—C4—O2—C3	57.2 (4)
O2—Cd1—Cl1—Cd2	−92.98 (7)	C3^iv—C4—O2—Cd1	−116.2 (3)
O3—Cd1—Cl1—Cd2	−170.31 (7)	C4^iv—C3—O2—C4	−56.9 (4)
Cl3ⁱ—Cd1—Cl1—Cd2	101.97 (4)	C4^iv—C3—O2—Cd1	116.0 (3)
Cl2—Cd1—Cl1—Cd2	−3.74 (3)	O3—Cd1—O2—C4	−137.6 (3)
O2—Cd1—Cl2—Cd2	92.64 (6)	Cl3ⁱ—Cd1—O2—C4	−108.9 (3)
O3—Cd1—Cl2—Cd2	65.1 (2)	Cl2—Cd1—O2—C4	49.6 (2)
Cl3ⁱ—Cd1—Cl2—Cd2	−93.49 (4)	Cl1—Cd1—O2—C4	136.8 (2)
Cl1—Cd1—Cl2—Cd2	3.68 (3)	Cl3—Cd1—O2—C4	−48.1 (2)
Cl3—Cd1—Cl2—Cd2	176.87 (3)	O3—Cd1—O2—C3	50.2 (3)
O1—Cd2—Cl2—Cd1	85.83 (7)	Cl3ⁱ—Cd1—O2—C3	78.9 (3)
O1ⁱⁱ—Cd2—Cl2—Cd1	161.64 (7)	Cl2—Cd1—O2—C3	−122.6 (3)
Cl1—Cd2—Cl2—Cd1	−3.73 (3)	Cl1—Cd1—O2—C3	−35.4 (3)
Cl1ⁱⁱ—Cd2—Cl2—Cd1	−110.05 (4)	Cl3—Cd1—O2—C3	139.7 (3)
O2—Cd1—Cl3—Cd1ⁱ	−165.80 (7)	C1^v—C5—O3—C6	60.0 (4)
O3—Cd1—Cl3—Cd1ⁱ	−88.42 (7)	C1^v—C5—O3—Cd1	−148.7 (2)
Cl3ⁱ—Cd1—Cl3—Cd1ⁱ	0.0	C2^v—C6—O3—C5	−59.7 (4)
Cl2—Cd1—Cl3—Cd1ⁱ	105.77 (4)	C2^v—C6—O3—Cd1	148.5 (2)
C6ⁱⁱⁱ—C2—O1—C1	−59.4 (4)	O2—Cd1—O3—C5	58.0 (3)
C6ⁱⁱⁱ—C2—O1—Cd2	155.4 (2)	Cl3ⁱ—Cd1—O3—C5	−114.2 (3)
C5ⁱⁱⁱ—C1—O1—C2	59.2 (4)	Cl2—Cd1—O3—C5	86.3 (3)
C5ⁱⁱⁱ—C1—O1—Cd2	−154.7 (2)	Cl1—Cd1—O3—C5	147.9 (3)
O1ⁱⁱ—Cd2—O1—C2	−64.2 (2)	Cl3—Cd1—O3—C5	−26.6 (3)
Cl1—Cd2—O1—C2	105.4 (3)	O2—Cd1—O3—C6	−154.0 (3)
Cl1ⁱⁱ—Cd2—O1—C2	−100.2 (3)	Cl3ⁱ—Cd1—O3—C6	33.8 (3)
Cl2ⁱⁱ—Cd2—O1—C2	−155.2 (3)	Cl2—Cd1—O3—C6	−125.7 (3)
Cl2—Cd2—O1—C2	18.4 (3)	Cl1—Cd1—O3—C6	−64.1 (2)
O1ⁱⁱ—Cd2—O1—C1	153.8 (3)	Cl3—Cd1—O3—C6	121.4 (3)

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

Experimental details

Crystal data
Chemical formula	[CdCl₂(C₄H₈O₂)]
M_r	271.40
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	295
a, b, c (Å)	15.145 (2), 13.8871 (18), 11.5943 (16)
β (°)	102.865 (2)
V (Å³)	2377.3 (5)
Z	12
Radiation type	Mo Kα
µ (mm⁻¹)	3.36
Crystal size (mm)	0.21 × 0.21 × 0.16

Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Sheldrick, 2003)
T_min, T_max	0.500, 0.584
No. of measured, independent and observed [I > 2σ(I)] reflections	7087, 2336, 2172
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.019, 0.105, 1.06
No. of reflections	2336
No. of parameters	123
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.69, −0.91

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005), SHELXTL (Sheldrick, 2008).

Acknowledgements

We gratefully acknowledge financial support by the Youth Foundation of Nanjing University of Technology (39704011) and the Analysis Center of Nanjing University.

References

Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Liu, Q. K., Ma, J. P. & Dong, Y. B. (2009). Chem. Eur. J. pp. 10364–10368. Web of Science CSD CrossRef Google Scholar
Melnik, M., Valent, A. & Kohutova, M. (2009). Main Group Met. Chem. pp. 269–295. Google Scholar
Paul, A. K., Madras, G. & Natarajan, S. (2010). Dalton Trans. pp. 2263–2279. Web of Science CrossRef Google Scholar
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Tatsuya, K., Masato, N., Yasutaka, T., Koichi, N. & Takumi, K. (2008). Inorg. Chem. pp. 3095–3104. Google Scholar
Xu, G. C., Hua, Q., Okamura, T., Bai, Z.-S., Ding, Y.-J., Huang, Y.-Q., Liu, G.-X., Sun, W.-Y. & Ueyama, N. (2009). CrystEngComm, 12, 261–270. Web of Science CSD CrossRef Google Scholar