catena-Poly[(dichloridocadmium)-di-μ-chlorido-[bis­(morpholinium-κO)cadmium]-di-μ-chlorido]

Wang, W.; Dai, J.

doi:10.1107/S160053681102914X

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 8| August 2011| Page m1144

doi:10.1107/S160053681102914X

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catena-Poly[(dichloridocadmium)-di-μ-chlorido-[bis(morpholinium-κO)cadmium]-di-μ-chlorido]

Wen-xiang Wang ^a ^* and Jing Dai ^a

^aOrdered Matter Science Research Center, College of Chemistry and Chemical, Engineering, Southeast University, Nanjing 211189, People's Republic of China
^*Correspondence e-mail: wxwang_1109@163.com

(Received 12 July 2011; accepted 19 July 2011; online 23 July 2011)

In the title compound, [Cd₂Cl₆(C₄H₁₀NO)₂]_n, the coordination geometry of each Cd^II ion is distorted octahedral, but with quite different coordination environments. One Cd^II atom is coordinated by four Cl atoms and two O atoms from two morpholinium ligands, while the other is coordinated by six Cl atoms. Adjacent Cd^II atoms are interconnected alternately by paired chloride bridges, generating a chain parallel to the a axis. Interchain N—H⋯Cl interactions form a two-dimensional network.

Related literature

For general background to one-, two- and three-dimensional coordination polymers, see: Xiong et al. (1999 ); Ye et al. (2005 ); Zhao et al. (2008 ). For the dimeric coordination compound [(MOR)₂Cu₂Cl₆] (MOR = morpholinium), see: Willett et al. (2005 ).

Experimental

Crystal data

[Cd₂Cl₆(C₄H₁₀NO)₂]
M_r = 613.78
Orthorhombic, P 2₁ 2₁ 2₁
a = 7.0496 (14) Å
b = 14.404 (3) Å
c = 17.583 (4) Å
V = 1785.4 (7) Å³
Z = 4
Mo Kα radiation
μ = 3.28 mm⁻¹
T = 298 K
0.45 × 0.30 × 0.15 mm

Data collection

Rigaku SCXmini diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ) T_min = 0.319, T_max = 0.611
18533 measured reflections
4100 independent reflections
3893 reflections with I > 2σ(I)
R_int = 0.035

Refinement

R[F² > 2σ(F²)] = 0.023
wR(F²) = 0.051
S = 1.07
4100 reflections
181 parameters
H-atom parameters constrained
Δρ_max = 0.31 e Å⁻³
Δρ_min = −0.61 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1A⋯Cl5ⁱ	0.90	2.52	3.203 (3)	133
N1—H1A⋯Cl6ⁱⁱ	0.90	2.98	3.733 (4)	143
N1—H1B⋯Cl5ⁱⁱⁱ	0.90	2.38	3.183 (3)	149
N2—H2C⋯Cl3^iv	0.90	2.56	3.276 (3)	137
N2—H2C⋯Cl2^iv	0.90	2.76	3.323 (3)	122
N2—H2D⋯Cl3^v	0.90	2.73	3.413 (3)	133
N2—H2D⋯Cl4ⁱⁱⁱ	0.90	2.74	3.497 (3)	142
Symmetry codes: (i) $[-x+1, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (ii) $[-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (iii) $[-x+{\script{3\over 2}}, -y+1, z+{\script{1\over 2}}]$ ; (iv) $[-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (v) $[-x+{\script{1\over 2}}, -y+1, z+{\script{1\over 2}}]$ .

Data collection: CrystalClear (Rigaku, 2005); 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 I, global. DOI: 10.1107/S160053681102914X/jh2310sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S160053681102914X/jh2310Isup2.hkl

checkCIF report

Comment top

Currently, the area of coordination polymers has undergone much development, with the aim of designing new materials with interesting physical properties. Numerous one-, two- and three-dimensional structures have been synthesized and characterized. (Xiong, et al., 1999; Ye, et al., 2005; Zhao et al., 2008) In the present work, a reaction of MOR cations, HCl, and cadmium(II) chloride has produced a novel one-dimensional coordination polymer, in which N–H–Cl hydrogen bonds interactions aggregate the anions and cations into a two-dimensional network.

Quite different from that observed in the dimeric coordination compound of (MOR)₂Cu₂Cl₆ (Willett et al., 2005), which links one morphine in each copper atom forming a semi-coordinate bond. The title compound [C₈H₂₀Cd₂N₂O₂Cl₆] exhibits a new coordinated mode. It is shown that two Cd centers have quite different coordination environments. The Cd1 atom is octahedrally coordinated by four Cl atoms and two O atoms from two MOR ligands. The Cd2 atom is octahedrally coordinated by six Cl atoms. Interestingly, adjacent Cd ions are interconnected alternately by paired chloride bridges to generate an infinite one-dimensional coordination chain along the a axis.The compound is assembled into layer structures via 6 kinds of N–H—Cl synthons as shown in Fig 2. Due to the interaction of N–H—Cl hydrogen bond,from which the two protons on a given NH²⁺ group form bifurcated hydrogen bonds, the polymer constitute a two-dimensional framework at [1 1 0].

Related literature top

For general background to one-, two- and three-dimensional coordination polymers , see: Xiong et al. (1999); Ye et al. (2005); Zhao et al. (2008). For the dimeric coordination compound [(MOR)₂Cu₂Cl₆] (MOR = morpholinium), see: Willett et al. (2005).

Experimental top

MOR 0.87 g(1 mmol) was dissolved in ethanol,with carefully dripping hydrochloric acid 1 g(30%). After stirring 20 min, 2.5 g(.0.85 mmol)of dissolved cadmium chloride by water was mixed. Then filtering the solution to keep it cleaning. The reaction solution was cooled down to room temperature to volatilization. Colorless needlelike crystals was obtained on the tube wall after three days and of average size 0.13 x 0.28 x 0.42 mm

Computing details top

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); 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 molecular structure of the title compound, with the displacement ellipsoids drawn at the 30% probability level.
	Fig. 2. View along the c axis of the packing arrangement and intermolecular hydrogen bonds for the title compound.

catena-Poly[(dichloridocadmium)-di-µ-chlorido- [bis(morpholinium-κO)cadmium]-di-µ-chlorido] top

Crystal data top

[Cd₂Cl₆(C₄H₁₀NO)₂]	F(000) = 1184
M_r = 613.78	D_x = 2.283 Mg m⁻³
Orthorhombic, P2₁2₁2₁	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: p 2ac 2ab	Cell parameters from 1977 reflections
a = 7.0496 (14) Å	θ = 3.1–27.5°
b = 14.404 (3) Å	µ = 3.28 mm⁻¹
c = 17.583 (4) Å	T = 298 K
V = 1785.4 (7) Å³	Needle, colourless
Z = 4	0.45 × 0.30 × 0.15 mm

Data collection top

Rigaku SCXmini diffractometer	4100 independent reflections
Radiation source: fine-focus sealed tube	3893 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.035
Detector resolution: 13.6612 pixels mm^-1	θ_max = 27.5°, θ_min = 3.1°
CCD_Profile_fitting scans	h = −9→9
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	k = −18→18
T_min = 0.319, T_max = 0.611	l = −22→22
18533 measured reflections

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) = 0.051	H-atom parameters constrained
S = 1.07	w = 1/[σ²(F_o²) + (0.0224P)² + 0.3409P] where P = (F_o² + 2F_c²)/3
4100 reflections	(Δ/σ)_max = 0.003
181 parameters	Δρ_max = 0.31 e Å⁻³
0 restraints	Δρ_min = −0.61 e Å⁻³

Crystal data top

[Cd₂Cl₆(C₄H₁₀NO)₂]	V = 1785.4 (7) Å³
M_r = 613.78	Z = 4
Orthorhombic, P2₁2₁2₁	Mo Kα radiation
a = 7.0496 (14) Å	µ = 3.28 mm⁻¹
b = 14.404 (3) Å	T = 298 K
c = 17.583 (4) Å	0.45 × 0.30 × 0.15 mm

Data collection top

Rigaku SCXmini diffractometer	4100 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	3893 reflections with I > 2σ(I)
T_min = 0.319, T_max = 0.611	R_int = 0.035
18533 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.023	0 restraints
wR(F²) = 0.051	H-atom parameters constrained
S = 1.07	Δρ_max = 0.31 e Å⁻³
4100 reflections	Δρ_min = −0.61 e Å⁻³
181 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	0.72480 (3)	0.507712 (15)	0.684293 (13)	0.02333 (6)
Cd2	0.23018 (3)	0.497301 (15)	0.589235 (12)	0.02517 (6)
Cl2	0.41966 (11)	0.59933 (5)	0.69463 (4)	0.02457 (16)
Cl4	0.90345 (12)	0.60740 (6)	0.58524 (5)	0.03148 (19)
Cl6	1.03220 (11)	0.42036 (6)	0.70226 (5)	0.03077 (19)
Cl3	0.37109 (12)	0.60596 (6)	0.49228 (5)	0.03157 (19)
Cl1	0.53066 (12)	0.38288 (6)	0.61612 (5)	0.03188 (19)
O1	0.8396 (3)	0.61772 (16)	0.78576 (12)	0.0280 (5)
N1	1.0415 (4)	0.7015 (2)	0.90750 (17)	0.0360 (7)
H1A	1.0127	0.7623	0.9054	0.043*
H1B	1.1214	0.6928	0.9468	0.043*
C4	0.7403 (5)	0.6518 (2)	0.85098 (19)	0.0347 (8)
H4A	0.6266	0.6151	0.8590	0.042*
H4B	0.7023	0.7156	0.8423	0.042*
C3	0.8640 (6)	0.6466 (3)	0.9206 (2)	0.0425 (10)
H3A	0.7963	0.6714	0.9641	0.051*
H3B	0.8960	0.5824	0.9313	0.051*
C2	1.1364 (5)	0.6735 (3)	0.8358 (2)	0.0386 (9)
H2A	1.1879	0.6114	0.8414	0.046*
H2B	1.2408	0.7155	0.8254	0.046*
C1	0.9997 (5)	0.6753 (3)	0.77094 (18)	0.0325 (8)
H1C	0.9576	0.7385	0.7624	0.039*
H1D	1.0629	0.6539	0.7252	0.039*
Cl5	0.10021 (12)	0.37744 (6)	0.49674 (5)	0.03176 (19)
O2	0.6243 (3)	0.43396 (16)	0.80860 (13)	0.0319 (6)
C8	0.3919 (5)	0.3182 (2)	0.8424 (2)	0.0315 (8)
H8A	0.2587	0.3089	0.8541	0.038*
H8B	0.4234	0.2804	0.7985	0.038*
C7	0.4274 (4)	0.4181 (2)	0.8249 (2)	0.0318 (8)
H7A	0.3514	0.4365	0.7815	0.038*
H7B	0.3895	0.4559	0.8680	0.038*
C6	0.7363 (5)	0.4118 (2)	0.87368 (17)	0.0316 (8)
H6A	0.6979	0.4506	0.9161	0.038*
H6B	0.8687	0.4246	0.8629	0.038*
N2	0.5099 (4)	0.28953 (19)	0.90858 (16)	0.0300 (7)
H2C	0.4962	0.2282	0.9165	0.036*
H2D	0.4699	0.3194	0.9505	0.036*
C5	0.7142 (5)	0.3111 (2)	0.8952 (2)	0.0351 (8)
H5A	0.7629	0.2720	0.8547	0.042*
H5B	0.7865	0.2982	0.9410	0.042*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.01729 (11)	0.02593 (12)	0.02677 (12)	0.00002 (11)	0.00033 (8)	0.00048 (10)
Cd2	0.02531 (12)	0.02594 (12)	0.02425 (12)	−0.00506 (12)	−0.00041 (8)	0.00121 (10)
Cl2	0.0224 (4)	0.0255 (4)	0.0258 (4)	0.0022 (3)	−0.0006 (3)	0.0002 (3)
Cl4	0.0300 (4)	0.0365 (5)	0.0280 (4)	0.0000 (4)	0.0046 (3)	0.0075 (4)
Cl6	0.0213 (4)	0.0357 (4)	0.0353 (5)	0.0040 (3)	0.0011 (3)	0.0101 (4)
Cl3	0.0338 (5)	0.0352 (5)	0.0256 (4)	−0.0084 (4)	0.0023 (3)	0.0036 (4)
Cl1	0.0281 (4)	0.0280 (4)	0.0395 (5)	−0.0002 (3)	−0.0061 (4)	−0.0057 (4)
O1	0.0246 (12)	0.0347 (13)	0.0246 (12)	−0.0051 (10)	0.0029 (9)	−0.0076 (10)
N1	0.0292 (16)	0.0423 (18)	0.0365 (17)	0.0039 (14)	−0.0070 (14)	−0.0152 (15)
C4	0.0261 (19)	0.045 (2)	0.0327 (18)	−0.0024 (17)	0.0074 (16)	−0.0129 (15)
C3	0.045 (2)	0.053 (3)	0.029 (2)	−0.007 (2)	0.0011 (17)	−0.0127 (18)
C2	0.0267 (19)	0.051 (2)	0.038 (2)	−0.0008 (17)	0.0012 (16)	−0.0165 (18)
C1	0.0271 (19)	0.043 (2)	0.027 (2)	−0.0098 (16)	0.0036 (15)	−0.0054 (15)
Cl5	0.0317 (4)	0.0331 (4)	0.0305 (4)	−0.0060 (4)	−0.0034 (4)	−0.0049 (4)
O2	0.0229 (12)	0.0453 (14)	0.0276 (13)	−0.0066 (11)	−0.0028 (10)	0.0131 (11)
C8	0.0253 (18)	0.035 (2)	0.034 (2)	0.0018 (15)	−0.0012 (15)	−0.0027 (16)
C7	0.0211 (17)	0.039 (2)	0.0357 (19)	0.0013 (15)	0.0048 (14)	0.0137 (16)
C6	0.032 (2)	0.0362 (18)	0.0265 (18)	−0.0057 (16)	−0.0049 (15)	0.0055 (13)
N2	0.0386 (18)	0.0201 (14)	0.0312 (16)	−0.0014 (13)	0.0028 (13)	0.0020 (12)
C5	0.036 (2)	0.0305 (18)	0.039 (2)	0.0028 (17)	−0.0134 (17)	0.0035 (15)

Geometric parameters (Å, º) top

Cd1—O1	2.520 (2)	C3—H3A	0.9700
Cd1—Cl6	2.5257 (9)	C3—H3B	0.9700
Cd1—Cl2	2.5301 (9)	C2—C1	1.494 (5)
Cd1—O2	2.531 (2)	C2—H2A	0.9700
Cd1—Cl1	2.5579 (9)	C2—H2B	0.9700
Cd1—Cl4	2.5848 (9)	C1—H1C	0.9700
Cd2—Cl3	2.5184 (9)	C1—H1D	0.9700
Cd2—Cl5	2.5427 (9)	O2—C6	1.427 (4)
Cd2—Cl6ⁱ	2.6694 (9)	O2—C7	1.436 (4)
Cd2—Cl2	2.7163 (9)	C8—N2	1.489 (4)
Cd2—Cl1	2.7251 (10)	C8—C7	1.493 (5)
Cd2—Cl4ⁱ	2.7974 (10)	C8—H8A	0.9700
Cl4—Cd2ⁱⁱ	2.7974 (10)	C8—H8B	0.9700
Cl6—Cd2ⁱⁱ	2.6694 (9)	C7—H7A	0.9700
O1—C1	1.424 (4)	C7—H7B	0.9700
O1—C4	1.430 (4)	C6—C5	1.508 (4)
N1—C2	1.482 (4)	C6—H6A	0.9700
N1—C3	1.498 (5)	C6—H6B	0.9700
N1—H1A	0.9000	N2—C5	1.492 (5)
N1—H1B	0.9000	N2—H2C	0.9000
C4—C3	1.505 (5)	N2—H2D	0.9000
C4—H4A	0.9700	C5—H5A	0.9700
C4—H4B	0.9700	C5—H5B	0.9700

O1—Cd1—Cl6	87.09 (6)	N1—C3—H3A	109.8
O1—Cd1—Cl2	83.92 (5)	C4—C3—H3A	109.8
Cl6—Cd1—Cl2	168.61 (3)	N1—C3—H3B	109.8
O1—Cd1—O2	75.07 (7)	C4—C3—H3B	109.8
Cl6—Cd1—O2	85.59 (6)	H3A—C3—H3B	108.2
Cl2—Cd1—O2	85.34 (6)	N1—C2—C1	110.7 (3)
O1—Cd1—Cl1	161.03 (5)	N1—C2—H2A	109.5
Cl6—Cd1—Cl1	99.64 (3)	C1—C2—H2A	109.5
Cl2—Cd1—Cl1	86.87 (3)	N1—C2—H2B	109.5
O2—Cd1—Cl1	87.70 (6)	C1—C2—H2B	109.5
O1—Cd1—Cl4	88.36 (6)	H2A—C2—H2B	108.1
Cl6—Cd1—Cl4	86.73 (3)	O1—C1—C2	111.2 (3)
Cl2—Cd1—Cl4	99.96 (3)	O1—C1—H1C	109.4
O2—Cd1—Cl4	162.05 (6)	C2—C1—H1C	109.4
Cl1—Cd1—Cl4	109.60 (3)	O1—C1—H1D	109.4
Cl3—Cd2—Cl5	97.53 (3)	C2—C1—H1D	109.4
Cl3—Cd2—Cl6ⁱ	165.51 (3)	H1C—C1—H1D	108.0
Cl5—Cd2—Cl6ⁱ	90.34 (3)	C6—O2—C7	109.9 (2)
Cl3—Cd2—Cl2	86.08 (3)	C6—O2—Cd1	129.16 (18)
Cl5—Cd2—Cl2	168.80 (3)	C7—O2—Cd1	120.65 (18)
Cl6ⁱ—Cd2—Cl2	88.50 (3)	N2—C8—C7	109.5 (3)
Cl3—Cd2—Cl1	100.76 (3)	N2—C8—H8A	109.8
Cl5—Cd2—Cl1	88.88 (3)	C7—C8—H8A	109.8
Cl6ⁱ—Cd2—Cl1	91.50 (3)	N2—C8—H8B	109.8
Cl2—Cd2—Cl1	80.02 (3)	C7—C8—H8B	109.8
Cl3—Cd2—Cl4ⁱ	87.45 (3)	H8A—C8—H8B	108.2
Cl5—Cd2—Cl4ⁱ	94.14 (3)	O2—C7—C8	110.9 (3)
Cl6ⁱ—Cd2—Cl4ⁱ	79.84 (3)	O2—C7—H7A	109.5
Cl2—Cd2—Cl4ⁱ	96.62 (3)	C8—C7—H7A	109.5
Cl1—Cd2—Cl4ⁱ	170.83 (3)	O2—C7—H7B	109.5
Cd1—Cl2—Cd2	94.98 (3)	C8—C7—H7B	109.5
Cd1—Cl4—Cd2ⁱⁱ	93.98 (3)	H7A—C7—H7B	108.1
Cd1—Cl6—Cd2ⁱⁱ	98.55 (3)	O2—C6—C5	111.1 (3)
Cd1—Cl1—Cd2	94.13 (3)	O2—C6—H6A	109.4
C1—O1—C4	109.6 (2)	C5—C6—H6A	109.4
C1—O1—Cd1	119.39 (18)	O2—C6—H6B	109.4
C4—O1—Cd1	128.78 (19)	C5—C6—H6B	109.4
C2—N1—C3	111.4 (3)	H6A—C6—H6B	108.0
C2—N1—H1A	109.4	C8—N2—C5	111.0 (3)
C3—N1—H1A	109.4	C8—N2—H2C	109.4
C2—N1—H1B	109.4	C5—N2—H2C	109.4
C3—N1—H1B	109.4	C8—N2—H2D	109.4
H1A—N1—H1B	108.0	C5—N2—H2D	109.4
O1—C4—C3	110.6 (3)	H2C—N2—H2D	108.0
O1—C4—H4A	109.5	N2—C5—C6	109.8 (3)
C3—C4—H4A	109.5	N2—C5—H5A	109.7
O1—C4—H4B	109.5	C6—C5—H5A	109.7
C3—C4—H4B	109.5	N2—C5—H5B	109.7
H4A—C4—H4B	108.1	C6—C5—H5B	109.7
N1—C3—C4	109.5 (3)	H5A—C5—H5B	108.2

O1—Cd1—Cl2—Cd2	−178.93 (5)	Cl4—Cd1—O1—C1	−20.0 (2)
Cl6—Cd1—Cl2—Cd2	−140.85 (12)	Cl6—Cd1—O1—C4	−132.1 (3)
O2—Cd1—Cl2—Cd2	−103.48 (6)	Cl2—Cd1—O1—C4	40.9 (3)
Cl1—Cd1—Cl2—Cd2	−15.53 (3)	O2—Cd1—O1—C4	−45.9 (3)
Cl4—Cd1—Cl2—Cd2	93.82 (3)	Cl1—Cd1—O1—C4	−20.5 (4)
Cl3—Cd2—Cl2—Cd1	−86.89 (3)	Cl4—Cd1—O1—C4	141.1 (3)
Cl5—Cd2—Cl2—Cd1	22.39 (15)	C1—O1—C4—C3	−63.0 (4)
Cl6ⁱ—Cd2—Cl2—Cd1	106.55 (3)	Cd1—O1—C4—C3	134.4 (3)
Cl1—Cd2—Cl2—Cd1	14.76 (3)	C2—N1—C3—C4	−52.2 (4)
Cl4ⁱ—Cd2—Cl2—Cd1	−173.86 (2)	O1—C4—C3—N1	57.9 (4)
O1—Cd1—Cl4—Cd2ⁱⁱ	94.39 (6)	C3—N1—C2—C1	51.6 (4)
Cl6—Cd1—Cl4—Cd2ⁱⁱ	7.21 (3)	C4—O1—C1—C2	62.0 (4)
Cl2—Cd1—Cl4—Cd2ⁱⁱ	177.92 (2)	Cd1—O1—C1—C2	−133.6 (2)
O2—Cd1—Cl4—Cd2ⁱⁱ	72.00 (19)	N1—C2—C1—O1	−56.4 (4)
Cl1—Cd1—Cl4—Cd2ⁱⁱ	−91.87 (3)	O1—Cd1—O2—C6	−53.8 (2)
O1—Cd1—Cl6—Cd2ⁱⁱ	−96.14 (6)	Cl6—Cd1—O2—C6	34.3 (2)
Cl2—Cd1—Cl6—Cd2ⁱⁱ	−134.03 (12)	Cl2—Cd1—O2—C6	−138.8 (2)
O2—Cd1—Cl6—Cd2ⁱⁱ	−171.38 (6)	Cl1—Cd1—O2—C6	134.2 (2)
Cl1—Cd1—Cl6—Cd2ⁱⁱ	101.71 (3)	Cl4—Cd1—O2—C6	−30.6 (4)
Cl4—Cd1—Cl6—Cd2ⁱⁱ	−7.62 (3)	O1—Cd1—O2—C7	118.8 (2)
O1—Cd1—Cl1—Cd2	76.43 (18)	Cl6—Cd1—O2—C7	−153.1 (2)
Cl6—Cd1—Cl1—Cd2	−173.94 (3)	Cl2—Cd1—O2—C7	33.9 (2)
Cl2—Cd1—Cl1—Cd2	15.46 (3)	Cl1—Cd1—O2—C7	−53.2 (2)
O2—Cd1—Cl1—Cd2	100.92 (6)	Cl4—Cd1—O2—C7	142.0 (2)
Cl4—Cd1—Cl1—Cd2	−84.00 (3)	C6—O2—C7—C8	−62.2 (4)
Cl3—Cd2—Cl1—Cd1	69.44 (3)	Cd1—O2—C7—C8	123.8 (2)
Cl5—Cd2—Cl1—Cd1	166.90 (3)	N2—C8—C7—O2	58.5 (4)
Cl6ⁱ—Cd2—Cl1—Cd1	−102.80 (3)	C7—O2—C6—C5	61.0 (4)
Cl2—Cd2—Cl1—Cd1	−14.58 (3)	Cd1—O2—C6—C5	−125.7 (3)
Cl6—Cd1—O1—C1	66.8 (2)	C7—C8—N2—C5	−54.2 (4)
Cl2—Cd1—O1—C1	−120.2 (2)	C8—N2—C5—C6	53.1 (4)
O2—Cd1—O1—C1	153.0 (2)	O2—C6—C5—N2	−56.5 (4)
Cl1—Cd1—O1—C1	178.43 (19)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1A···Cl5ⁱⁱⁱ	0.90	2.52	3.203 (3)	133
N1—H1A···Cl6^iv	0.90	2.98	3.733 (4)	143
N1—H1B···Cl5^v	0.90	2.38	3.183 (3)	149
N2—H2C···Cl3^vi	0.90	2.56	3.276 (3)	137
N2—H2C···Cl2^vi	0.90	2.76	3.323 (3)	122
N2—H2D···Cl3^vii	0.90	2.73	3.413 (3)	133
N2—H2D···Cl4^v	0.90	2.74	3.497 (3)	142

Symmetry codes: (iii) −x+1, y+1/2, −z+3/2; (iv) −x+2, y+1/2, −z+3/2; (v) −x+3/2, −y+1, z+1/2; (vi) −x+1, y−1/2, −z+3/2; (vii) −x+1/2, −y+1, z+1/2.

Experimental details

Crystal data
Chemical formula	[Cd₂Cl₆(C₄H₁₀NO)₂]
M_r	613.78
Crystal system, space group	Orthorhombic, P2₁2₁2₁
Temperature (K)	298
a, b, c (Å)	7.0496 (14), 14.404 (3), 17.583 (4)
V (Å³)	1785.4 (7)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	3.28
Crystal size (mm)	0.45 × 0.30 × 0.15

Data collection
Diffractometer	Rigaku SCXmini diffractometer
Absorption correction	Multi-scan (CrystalClear; Rigaku, 2005)
T_min, T_max	0.319, 0.611
No. of measured, independent and observed [I > 2σ(I)] reflections	18533, 4100, 3893
R_int	0.035
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.023, 0.051, 1.07
No. of reflections	4100
No. of parameters	181
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.31, −0.61

Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1A···Cl5ⁱ	0.90	2.52	3.203 (3)	133.2
N1—H1A···Cl6ⁱⁱ	0.90	2.98	3.733 (4)	142.6
N1—H1B···Cl5ⁱⁱⁱ	0.90	2.38	3.183 (3)	149.3
N2—H2C···Cl3^iv	0.90	2.56	3.276 (3)	137.1
N2—H2C···Cl2^iv	0.90	2.76	3.323 (3)	121.9
N2—H2D···Cl3^v	0.90	2.73	3.413 (3)	133.2
N2—H2D···Cl4ⁱⁱⁱ	0.90	2.74	3.497 (3)	142.2

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

Acknowledgements

This work was supported financially by the National Natural Science Foundation of China (20871028) and Jiangsu Province NSF (BK2008029).

References

Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Willett, R. D., Butcher, R., Landee, C. P. & Twamley, B. T. (2005). Polyhedron, 24, 2222–2231. Web of Science CSD CrossRef CAS Google Scholar
Xiong, R.-G., Zuo, J.-L., You, X.-Z., Fun, H.-K. & Raj, S. S. S. (1999). New J. Chem. 23, 1051–1052. Web of Science CSD CrossRef CAS Google Scholar
Ye, Q., Wang, X.-S., Zhao, H. & Xiong, R.-G. (2005). Chem. Soc. Rev. 34, 208–225. Web of Science PubMed CAS Google Scholar
Zhao, H., Qu, Z.-R., Ye, H. Y. & Xiong, R.-G. (2008). Chem. Soc. Rev. 37, 84–100. Web of Science CrossRef PubMed Google Scholar

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Volume 67| Part 8| August 2011| Page m1144

doi:10.1107/S160053681102914X

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

catena-Poly[(di­chloridocadmium)-di-μ-chlorido-[bis­­(morpholinium-κO)cadmium]-di-μ-chlorido]

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Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

catena-Poly[(dichloridocadmium)-di-μ-chlorido-[bis(morpholinium-κO)cadmium]-di-μ-chlorido]