Poly[μ-aqua-[μ-1,1′-(butane-1,4-di­yl)diimidazole]bis­(μ4-naphthalene-1,4-dicarboxyl­ato)dicadmium(II)]

Xu, Q.; Zhang, W.-Z.; Chen, Z.-Q.

doi:10.1107/S1600536808037525

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 12| December 2008| Page m1562

doi:10.1107/S1600536808037525

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Poly[μ-aqua-[μ-1,1′-(butane-1,4-diyl)diimidazole]bis(μ₄-naphthalene-1,4-dicarboxylato)dicadmium(II)]

Qun Xu,^a Wen-Zhi Zhang ^a ^* and Zhi-Qiang Chen ^a

^aCollege of Chemistry and Chemical Engineering, Qiqihar University, Qiqihar 161006, Heilongjiang Province, People's Republic of China
^*Correspondence e-mail: zhangwenzhi1968@yahoo.com.cn

(Received 3 November 2008; accepted 12 November 2008; online 20 November 2008)

In the title compound, [Cd₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]_n, the coordination polyhedron around each Cd^II ion is a distorted CdNO₅ octahedron. The water O atom has site symmetry 2 and the complete 1,1′-(butane-1,4-diyl)diimidazole (L) ligand is generated by inversion. The naphthalene-1,4-dicarboxylate and L ligands bridge the metal centres, forming a three-dimensional framework, which is consolidated by O—H⋯O hydrogen bonds.

Related literature

For background to metal–organic frameworks, see Ma et al. (2003 ); Yang et al. (2008 ).

Experimental

Crystal data

[Cd₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]
M_r = 861.40
Monoclinic, C 2/c
a = 18.773 (2) Å
b = 14.9118 (19) Å
c = 14.2298 (18) Å
β = 127.3900 (10)°
V = 3165.0 (7) Å³
Z = 4
Mo Kα radiation
μ = 1.41 mm⁻¹
T = 293 (2) K
0.33 × 0.27 × 0.22 mm

Data collection

Bruker APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1998 ) T_min = 0.691, T_max = 0.732
8715 measured reflections
3102 independent reflections
2809 reflections with I > 2σ(I)
R_int = 0.018

Refinement

R[F² > 2σ(F²)] = 0.022
wR(F²) = 0.056
S = 1.06
3102 reflections
226 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.47 e Å⁻³
Δρ_min = −0.30 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—N1	2.264 (2)
Cd1—O2	2.2746 (17)
Cd1—O1ⁱ	2.2344 (17)
Cd1—O4ⁱⁱ	2.3096 (16)
Cd1—O4ⁱⁱⁱ	2.4847 (15)
Cd1—O1W	2.2995 (14)
Symmetry codes: (i) $[-x+1, y, -z+{\script{1\over 2}}]$ ; (ii) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]$ ; (iii) $[x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—HW11⋯O3ⁱⁱⁱ	0.76 (3)	1.80 (3)	2.549 (2)	169 (3)
Symmetry code: (iii) $[x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ .

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); 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); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808037525/hb2837sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808037525/hb2837Isup2.hkl

checkCIF report

Comment top

Currently, metal-organic frameworks are of great interest because of their interesting structures and potential applications. Up to now, some interesting interpenetrated or entangled metal-organic networks with bis(imidazole)-containing ligands have been documented (Yang et al., 2008). However, flexible ligands such as 1,1'-(butane-1,4-diyl)diimidazole (L) has not been well explored to date (Ma et al., 2003). In this work, we selected naphthalene-1,4-dicarboxylic acid (1,4-H₂ndc) and L as linkers in combination with a source of cadmium ions, generating a new coordination polymer, [Cd₂(1,4-ndc)₂(L)(H₂O)], (I), which is reported here.

In compound (I) each Cd^II atom is six-coordinated by one N atom from one L ligand, and five O atoms from four carboxylate oxygen atoms and one water molecule in a distorted octohedral coordination sphere (Fig. 1, Table 1). The water molecule O atom has site symmetry 2 and the L ligand is situated across an inversion centre. The two neighbouring Cd^II atoms are bridged by the carboxylate and water molecule to form a dimer. The dimers are further linked by the backbone of 1,4-ndc and L ligands to form a three-dimensional framework (Fig. 2). An O—H···O hydrogen bond (Table 2) helps to consolidate the packing.

Related literature top

For background to metal–organic frameworks, see Ma et al. (2003); Yang et al. (2008).

Experimental top

A mixture of 1,4-H₂ndc (0.5 mmol), L (0.5 mmol), NaOH (1 mmol) and CdCl₂^.2.5H₂O (0.5 mmol) was suspended in 14 ml of deionized water and sealed in a 20-ml Teflon-lined autoclave. Upon heating at 413 K for three days, the autoclave was slowly cooled to room temperature. The resulting colourless blocks of (I) were collected, washed with deionized water and dried.

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); 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 asymmetric unit of (I), extended to show the Cd coordination sphere and the complete L ligand. Displacement ellipsoids are drawn at the 30% probability level and H atoms are omitted for clarity. Symmetry code: (i) 1-x, y, 0.5-z; (ii) x+0.5, y+0.5, z; (iii) 0.5-x, 0.5-y, -z; (iv) -x, y, -0.5-z.
	Fig. 2. View of the three-dimensional framework of (I).

Poly[µ-aqua-[µ-1,1'-(butane-1,4-diyl)diimidazole]bis(µ₄-naphthalene-1,4- dicarboxylato)dicadmium(II)] top

Crystal data top

[Cd₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]	F(000) = 1712
M_r = 861.40	D_x = 1.808 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 3102 reflections
a = 18.773 (2) Å	θ = 1.1–26.0°
b = 14.9118 (19) Å	µ = 1.41 mm⁻¹
c = 14.2298 (18) Å	T = 293 K
β = 127.390 (1)°	Block, colorless
V = 3165.0 (7) Å³	0.33 × 0.27 × 0.22 mm
Z = 4

Data collection top

Bruker APEX CCD diffractometer	3102 independent reflections
Radiation source: fine-focus sealed tube	2809 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.018
ω scans	θ_max = 26.0°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 1998)	h = −16→23
T_min = 0.691, T_max = 0.732	k = −18→17
8715 measured reflections	l = −16→17

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)] = 0.022	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.056	H atoms treated by a mixture of independent and constrained refinement
S = 1.07	w = 1/[σ²(F_o²) + (0.0287P)² + 3.5082P] where P = (F_o² + 2F_c²)/3
3102 reflections	(Δ/σ)_max = 0.001
226 parameters	Δρ_max = 0.47 e Å⁻³
0 restraints	Δρ_min = −0.30 e Å⁻³

Crystal data top

[Cd₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]	V = 3165.0 (7) Å³
M_r = 861.40	Z = 4
Monoclinic, C2/c	Mo Kα radiation
a = 18.773 (2) Å	µ = 1.41 mm⁻¹
b = 14.9118 (19) Å	T = 293 K
c = 14.2298 (18) Å	0.33 × 0.27 × 0.22 mm
β = 127.390 (1)°

Data collection top

Bruker APEX CCD diffractometer	3102 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 1998)	2809 reflections with I > 2σ(I)
T_min = 0.691, T_max = 0.732	R_int = 0.018
8715 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.022	0 restraints
wR(F²) = 0.056	H atoms treated by a mixture of independent and constrained refinement
S = 1.07	Δρ_max = 0.47 e Å⁻³
3102 reflections	Δρ_min = −0.30 e Å⁻³
226 parameters

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
C1	0.37567 (16)	0.35138 (16)	0.1979 (2)	0.0297 (5)
C2	0.30731 (16)	0.28246 (16)	0.1737 (2)	0.0280 (5)
C3	0.21801 (17)	0.30336 (18)	0.0966 (2)	0.0359 (6)
H3	0.2005	0.3550	0.0509	0.043*
C4	0.15233 (17)	0.24857 (19)	0.0850 (2)	0.0374 (6)
H4	0.0922	0.2646	0.0328	0.045*
C5	0.17624 (16)	0.17188 (17)	0.1500 (2)	0.0305 (5)
C6	0.10956 (17)	0.12334 (17)	0.1573 (2)	0.0333 (6)
C7	0.26737 (17)	0.14297 (16)	0.2231 (2)	0.0300 (5)
C8	0.33359 (16)	0.19901 (16)	0.2353 (2)	0.0288 (5)
C9	0.42311 (18)	0.16783 (19)	0.3048 (2)	0.0422 (6)
H9	0.4676	0.2031	0.3133	0.051*
C10	0.4447 (2)	0.0865 (2)	0.3594 (3)	0.0579 (9)
H10	0.5038	0.0670	0.4048	0.069*
C11	0.3796 (3)	0.0319 (2)	0.3485 (3)	0.0549 (9)
H11	0.3957	−0.0234	0.3864	0.066*
C12	0.2933 (2)	0.05926 (19)	0.2830 (3)	0.0432 (7)
H12	0.2505	0.0229	0.2771	0.052*
C13	0.26154 (18)	0.5557 (2)	−0.0295 (3)	0.0433 (7)
H13	0.2482	0.5072	−0.0015	0.052*
C14	0.32799 (18)	0.64237 (19)	−0.0731 (2)	0.0404 (6)
H14	0.3701	0.6657	−0.0810	0.048*
C15	0.2503 (2)	0.6826 (2)	−0.1106 (3)	0.0471 (7)
H15	0.2295	0.7378	−0.1484	0.056*
C16	0.1209 (2)	0.6416 (3)	−0.1088 (3)	0.0654 (10)
H16A	0.1215	0.6989	−0.0761	0.078*
H16B	0.1111	0.5954	−0.0697	0.078*
C17	0.04549 (17)	0.6405 (2)	−0.2362 (3)	0.0479 (7)
H17A	0.0508	0.5876	−0.2712	0.057*
H17B	0.0502	0.6926	−0.2729	0.057*
N1	0.33508 (13)	0.56210 (15)	−0.02170 (18)	0.0332 (5)
N2	0.20866 (14)	0.62697 (18)	−0.0825 (2)	0.0440 (6)
O1	0.43795 (13)	0.36693 (13)	0.30491 (17)	0.0455 (5)
O2	0.36314 (12)	0.38808 (13)	0.11038 (17)	0.0438 (5)
O1W	0.5000	0.55213 (17)	0.2500	0.0267 (5)
O3	0.11724 (18)	0.13705 (18)	0.2487 (2)	0.0756 (9)
O4	0.05171 (10)	0.07264 (11)	0.07468 (14)	0.0285 (4)
Cd1	0.453957 (10)	0.468475 (11)	0.086231 (14)	0.02277 (7)
HW11	0.5363 (19)	0.581 (2)	0.257 (3)	0.047 (9)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0285 (13)	0.0274 (13)	0.0399 (14)	−0.0057 (10)	0.0242 (12)	−0.0041 (10)
C2	0.0297 (13)	0.0301 (13)	0.0297 (12)	−0.0090 (10)	0.0210 (11)	−0.0043 (9)
C3	0.0322 (14)	0.0360 (14)	0.0372 (14)	−0.0070 (11)	0.0199 (12)	0.0061 (11)
C4	0.0224 (13)	0.0495 (16)	0.0335 (13)	−0.0073 (11)	0.0135 (11)	0.0031 (12)
C5	0.0330 (14)	0.0352 (14)	0.0277 (12)	−0.0151 (11)	0.0207 (11)	−0.0086 (10)
C6	0.0349 (14)	0.0362 (14)	0.0367 (13)	−0.0151 (11)	0.0258 (12)	−0.0083 (11)
C7	0.0383 (14)	0.0263 (12)	0.0321 (12)	−0.0085 (10)	0.0248 (12)	−0.0065 (9)
C8	0.0326 (13)	0.0286 (13)	0.0275 (12)	−0.0062 (10)	0.0194 (11)	−0.0049 (9)
C9	0.0309 (14)	0.0451 (16)	0.0473 (16)	−0.0033 (12)	0.0220 (13)	−0.0020 (13)
C10	0.0466 (19)	0.055 (2)	0.059 (2)	0.0159 (16)	0.0252 (17)	0.0103 (16)
C11	0.071 (2)	0.0382 (17)	0.057 (2)	0.0114 (15)	0.0393 (19)	0.0134 (14)
C12	0.0588 (19)	0.0316 (14)	0.0473 (16)	−0.0070 (13)	0.0363 (16)	−0.0002 (12)
C13	0.0273 (14)	0.0576 (18)	0.0448 (16)	0.0071 (13)	0.0219 (13)	0.0155 (14)
C14	0.0337 (15)	0.0472 (17)	0.0424 (15)	0.0055 (12)	0.0242 (13)	0.0125 (12)
C15	0.0421 (17)	0.0460 (17)	0.0500 (17)	0.0172 (13)	0.0264 (14)	0.0216 (13)
C16	0.0298 (16)	0.113 (3)	0.0529 (19)	0.0232 (18)	0.0248 (15)	0.010 (2)
C17	0.0267 (15)	0.0587 (19)	0.0532 (18)	−0.0054 (13)	0.0216 (14)	−0.0030 (14)
N1	0.0226 (10)	0.0413 (12)	0.0333 (11)	0.0050 (9)	0.0157 (9)	0.0085 (9)
N2	0.0240 (11)	0.0664 (17)	0.0381 (12)	0.0166 (11)	0.0169 (10)	0.0157 (11)
O1	0.0446 (12)	0.0513 (12)	0.0427 (11)	−0.0287 (9)	0.0276 (10)	−0.0154 (9)
O2	0.0366 (11)	0.0469 (12)	0.0466 (11)	−0.0093 (8)	0.0245 (9)	0.0115 (9)
O1W	0.0269 (14)	0.0260 (13)	0.0350 (13)	0.000	0.0227 (12)	0.000
O3	0.0944 (19)	0.103 (2)	0.0678 (15)	−0.0748 (16)	0.0690 (15)	−0.0539 (14)
O4	0.0261 (9)	0.0332 (9)	0.0295 (8)	−0.0109 (7)	0.0185 (7)	−0.0068 (7)
Cd1	0.01994 (10)	0.02484 (11)	0.02462 (10)	0.00131 (6)	0.01409 (8)	0.00274 (6)

Geometric parameters (Å, º) top

C1—O2	1.245 (3)	C13—H13	0.9300
C1—O1	1.256 (3)	C14—C15	1.351 (4)
C1—C2	1.511 (3)	C14—N1	1.366 (3)
C2—C3	1.370 (3)	C14—H14	0.9300
C2—C8	1.427 (3)	C15—N2	1.357 (4)
C3—C4	1.403 (3)	C15—H15	0.9300
C3—H3	0.9300	C16—N2	1.468 (3)
C4—C5	1.364 (4)	C16—C17	1.474 (4)
C4—H4	0.9300	C16—H16A	0.9700
C5—C7	1.426 (4)	C16—H16B	0.9700
C5—C6	1.503 (3)	C17—C17ⁱ	1.502 (5)
C6—O3	1.236 (3)	C17—H17A	0.9700
C6—O4	1.258 (3)	C17—H17B	0.9700
C7—C8	1.418 (3)	O1—Cd1ⁱⁱ	2.2344 (17)
C7—C12	1.421 (4)	O1W—Cd1ⁱⁱ	2.2995 (14)
C8—C9	1.414 (4)	O1W—HW11	0.76 (3)
C9—C10	1.363 (4)	O4—Cd1ⁱⁱⁱ	2.3096 (16)
C9—H9	0.9300	O4—Cd1^iv	2.4848 (15)
C10—C11	1.396 (5)	Cd1—N1	2.264 (2)
C10—H10	0.9300	Cd1—O2	2.2746 (17)
C11—C12	1.351 (5)	Cd1—O1ⁱⁱ	2.2344 (17)
C11—H11	0.9300	Cd1—O4ⁱⁱⁱ	2.3096 (16)
C12—H12	0.9300	Cd1—O4^v	2.4847 (15)
C13—N1	1.319 (3)	Cd1—O1W	2.2995 (14)
C13—N2	1.332 (4)

O2—C1—O1	127.1 (2)	C14—C15—H15	126.6
O2—C1—C2	116.9 (2)	N2—C15—H15	126.6
O1—C1—C2	116.1 (2)	N2—C16—C17	113.7 (3)
C3—C2—C8	119.3 (2)	N2—C16—H16A	108.8
C3—C2—C1	119.0 (2)	C17—C16—H16A	108.8
C8—C2—C1	121.6 (2)	N2—C16—H16B	108.8
C2—C3—C4	121.5 (2)	C17—C16—H16B	108.8
C2—C3—H3	119.3	H16A—C16—H16B	107.7
C4—C3—H3	119.3	C16—C17—C17ⁱ	114.3 (3)
C5—C4—C3	120.3 (2)	C16—C17—H17A	108.7
C5—C4—H4	119.8	C17ⁱ—C17—H17A	108.7
C3—C4—H4	119.8	C16—C17—H17B	108.7
C4—C5—C7	120.2 (2)	C17ⁱ—C17—H17B	108.7
C4—C5—C6	120.4 (2)	H17A—C17—H17B	107.6
C7—C5—C6	119.0 (2)	C13—N1—C14	105.2 (2)
O3—C6—O4	124.4 (2)	C13—N1—Cd1	124.23 (18)
O3—C6—C5	115.0 (2)	C14—N1—Cd1	129.70 (17)
O4—C6—C5	120.5 (2)	C13—N2—C15	106.8 (2)
C8—C7—C12	119.2 (2)	C13—N2—C16	126.7 (3)
C8—C7—C5	119.0 (2)	C15—N2—C16	126.4 (3)
C12—C7—C5	121.7 (2)	C1—O1—Cd1ⁱⁱ	138.66 (17)
C9—C8—C7	118.2 (2)	C1—O2—Cd1	132.78 (16)
C9—C8—C2	122.5 (2)	Cd1—O1W—Cd1ⁱⁱ	114.29 (11)
C7—C8—C2	119.2 (2)	Cd1—O1W—HW11	101 (2)
C10—C9—C8	120.5 (3)	Cd1ⁱⁱ—O1W—HW11	115 (2)
C10—C9—H9	119.8	C6—O4—Cd1ⁱⁱⁱ	125.42 (15)
C8—C9—H9	119.8	C6—O4—Cd1^iv	124.57 (15)
C9—C10—C11	121.3 (3)	Cd1ⁱⁱⁱ—O4—Cd1^iv	107.96 (6)
C9—C10—H10	119.4	O1ⁱⁱ—Cd1—N1	173.89 (7)
C11—C10—H10	119.4	O1ⁱⁱ—Cd1—O2	89.23 (7)
C12—C11—C10	120.1 (3)	N1—Cd1—O2	84.66 (7)
C12—C11—H11	119.9	O1ⁱⁱ—Cd1—O1W	92.34 (7)
C10—C11—H11	119.9	N1—Cd1—O1W	87.83 (7)
C11—C12—C7	120.7 (3)	O2—Cd1—O1W	89.30 (6)
C11—C12—H12	119.7	O1ⁱⁱ—Cd1—O4ⁱⁱⁱ	89.03 (6)
C7—C12—H12	119.7	N1—Cd1—O4ⁱⁱⁱ	93.33 (7)
N1—C13—N2	111.8 (3)	O2—Cd1—O4ⁱⁱⁱ	114.98 (7)
N1—C13—H13	124.1	O1W—Cd1—O4ⁱⁱⁱ	155.70 (5)
N2—C13—H13	124.1	O1ⁱⁱ—Cd1—O4^v	94.20 (7)
C15—C14—N1	109.4 (2)	N1—Cd1—O4^v	91.89 (7)
C15—C14—H14	125.3	O2—Cd1—O4^v	172.29 (6)
N1—C14—H14	125.3	O1W—Cd1—O4^v	83.67 (5)
C14—C15—N2	106.8 (2)	O4ⁱⁱⁱ—Cd1—O4^v	72.04 (6)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—HW11···O3^v	0.76 (3)	1.80 (3)	2.549 (2)	169 (3)

Symmetry code: (v) x+1/2, y+1/2, z.

Experimental details

Crystal data
Chemical formula	[Cd₂(C₁₂H₆O₄)₂(C₁₀H₁₄N₄)(H₂O)]
M_r	861.40
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	293
a, b, c (Å)	18.773 (2), 14.9118 (19), 14.2298 (18)
β (°)	127.390 (1)
V (Å³)	3165.0 (7)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.41
Crystal size (mm)	0.33 × 0.27 × 0.22

Data collection
Diffractometer	Bruker APEX CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 1998)
T_min, T_max	0.691, 0.732
No. of measured, independent and observed [I > 2σ(I)] reflections	8715, 3102, 2809
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.022, 0.056, 1.07
No. of reflections	3102
No. of parameters	226
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.47, −0.30

Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cd1—N1	2.264 (2)	Cd1—O4ⁱⁱ	2.3096 (16)
Cd1—O2	2.2746 (17)	Cd1—O4ⁱⁱⁱ	2.4847 (15)
Cd1—O1ⁱ	2.2344 (17)	Cd1—O1W	2.2995 (14)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—HW11···O3ⁱⁱⁱ	0.76 (3)	1.80 (3)	2.549 (2)	169 (3)

Symmetry code: (iii) x+1/2, y+1/2, z.

Acknowledgements

The work was supported by the Program for Young Academic Backbone in Heilongjiang Provincial University (grant No. 1152G053)

References

Bruker (1998). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Ma, J.-F., Yang, J., Zheng, G.-L., Li, L. & Liu, J.-F. (2003). Inorg. Chem. 42, 7531–7534. Web of Science CSD CrossRef PubMed CAS Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Yang, J., Ma, J.-F., Batten, S. R. & Su, Z.-M. (2008). Chem. Commun. pp. 2233–2235. Web of Science CSD CrossRef Google Scholar

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