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

In the title compound, [Cd(2)Cl(6)(C(4)H(10)NO)(2)](n), the coordination geometry of each Cd(II) ion is distorted octa-hedral, 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 inter-connected alternately by paired chloride bridges, generating a chain parallel to the a axis. Inter-chain N-H⋯Cl inter-actions 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 = 613.78

Orthorhombic,

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[F 2 > 2σ(F 2)] = 0.023

wR(F 2) = 0.051

S = 1.07

4100 reflections

181 parameters

H-atom parameters constrained

Δρmax = 0.31 e Å−3

Δρmin = −0.61 e Å−3

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.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681102914X/jh2310sup1.cif

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

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

[Cd2Cl6(C4H10NO)2]	F(000) = 1184
Mr = 613.78	Dx = 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

Rigaku SCXmini diffractometer	4100 independent reflections
Radiation source: fine-focus sealed tube	3893 reflections with I > 2σ(I)
graphite	Rint = 0.035
Detector resolution: 13.6612 pixels mm-1	θmax = 27.5°, θmin = 3.1°
CCD_Profile_fitting scans	h = −9→9
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	k = −18→18
Tmin = 0.319, Tmax = 0.611	l = −22→22
18533 measured reflections

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(Fo2) + (0.0224P)2 + 0.3409P] where P = (Fo2 + 2Fc2)/3
4100 reflections	(Δ/σ)max = 0.003
181 parameters	Δρmax = 0.31 e Å−3
0 restraints	Δρmin = −0.61 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	0.72480 (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*

	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)

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)

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···Cl6iv	0.90	2.98	3.733 (4)	143.
N1—H1B···Cl5v	0.90	2.38	3.183 (3)	149.
N2—H2C···Cl3vi	0.90	2.56	3.276 (3)	137.
N2—H2C···Cl2vi	0.90	2.76	3.323 (3)	122.
N2—H2D···Cl3vii	0.90	2.73	3.413 (3)	133.
N2—H2D···Cl4v	0.90	2.74	3.497 (3)	142.

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⋯Cl3iv	0.90	2.56	3.276 (3)	137
N2—H2C⋯Cl2iv	0.90	2.76	3.323 (3)	122
N2—H2D⋯Cl3v	0.90	2.73	3.413 (3)	133
N2—H2D⋯Cl4iii	0.90	2.74	3.497 (3)	142

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .