Poly[di-μ(2)-chlorido-μ(2)-(1,4-dioxane-κO:O')-cadmium(II)].

In the title complex, [CdCl(2)(C(4)H(8)O(2))](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 octa-hedral 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 inter-connected by bridging 1,4-dioxane ligands, affording a three-dimensional network.

Related literature

For background to CdII 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 = 271.40

Monoclinic,

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[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.105

S = 1.06

2336 reflections

123 parameters

H-atom parameters constrained

Δρmax = 0.69 e Å−3

Δρmin = −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.

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

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810048634/vm2060Isup2.hkl

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

[CdCl2(C4H8O2)]	F(000) = 1560
Mr = 271.40	Dx = 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

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

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(Fo2) + (0.085P)2 + 0.3305P] where P = (Fo2 + 2Fc2)/3
2336 reflections	(Δ/σ)max = 0.001
123 parameters	Δρmax = 0.69 e Å−3
0 restraints	Δρmin = −0.91 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	0.330474 (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)

	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)

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—C4iv	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—C3iv	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—C1v	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—C2v	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—C4iv	110.4 (3)
O3—Cd1—Cl2	164.70 (7)	O2—C3—H3A	109.6
Cl3i—Cd1—Cl2	105.95 (4)	C4iv—C3—H3A	109.6
O2—Cd1—Cl1	88.92 (6)	O2—C3—H3B	109.6
O3—Cd1—Cl1	85.52 (6)	C4iv—C3—H3B	109.6
Cl3i—Cd1—Cl1	97.68 (3)	H3A—C3—H3B	108.1
Cl2—Cd1—Cl1	87.14 (3)	O2—C4—C3iv	111.0 (3)
O2—Cd1—Cl3	84.39 (6)	O2—C4—H4A	109.4
O3—Cd1—Cl3	88.25 (6)	C3iv—C4—H4A	109.4
Cl3i—Cd1—Cl3	87.58 (3)	O2—C4—H4B	109.4
Cl2—Cd1—Cl3	97.60 (3)	C3iv—C4—H4B	109.4
Cl1—Cd1—Cl3	171.72 (3)	H4A—C4—H4B	108.0
O1—Cd2—O1ii	75.83 (12)	O3—C5—C1v	110.0 (3)
O1—Cd2—Cl1	89.52 (7)	O3—C5—H5A	109.7
O1ii—Cd2—Cl1	162.08 (7)	C1v—C5—H5A	109.7
O1—Cd2—Cl1ii	162.08 (7)	O3—C5—H5B	109.7
O1ii—Cd2—Cl1ii	89.52 (7)	C1v—C5—H5B	109.7
Cl1—Cd2—Cl1ii	106.59 (5)	H5A—C5—H5B	108.2
O1—Cd2—Cl2ii	82.66 (6)	O3—C6—C2v	109.5 (3)
O1ii—Cd2—Cl2ii	89.20 (6)	O3—C6—H6A	109.8
Cl1—Cd2—Cl2ii	99.24 (3)	C2v—C6—H6A	109.8
Cl1ii—Cd2—Cl2ii	86.95 (3)	O3—C6—H6B	109.8
O1—Cd2—Cl2	89.20 (6)	C2v—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)	C3iv—C4—O2—C3	57.2 (4)
O2—Cd1—Cl1—Cd2	−92.98 (7)	C3iv—C4—O2—Cd1	−116.2 (3)
O3—Cd1—Cl1—Cd2	−170.31 (7)	C4iv—C3—O2—C4	−56.9 (4)
Cl3i—Cd1—Cl1—Cd2	101.97 (4)	C4iv—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)	C1v—C5—O3—C6	60.0 (4)
O3—Cd1—Cl3—Cd1i	−88.42 (7)	C1v—C5—O3—Cd1	−148.7 (2)
Cl3i—Cd1—Cl3—Cd1i	0.0	C2v—C6—O3—C5	−59.7 (4)
Cl2—Cd1—Cl3—Cd1i	105.77 (4)	C2v—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)