Bis[4-(2-hy­droxy­benzyl­idene­amino)­benzoato-κO1]tetra­kis­(methanol-κO)cadmium

Wang, Y.; Wang, X.; Li, Y.-X.; Yang, H.-X.; Liu, Y.-J.

doi:10.1107/S1600536811015364

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 6| June 2011| Pages m685-m686

doi:10.1107/S1600536811015364

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Bis[4-(2-hydroxybenzylideneamino)benzoato-κO¹]tetrakis(methanol-κO)cadmium

Ying Wang,^a Xia Wang,^b ^* Yu-Xian Li,^b Huai-Xia Yang ^b and Yan-Ju Liu ^b

^aDepartment of Geriatrics, The First Affiliated Hospital, Zhengzhou University, Zhengzhou 450000, People's Republic of China, and ^bPharmacy College, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, People's Republic of China
^*Correspondence e-mail: wangxiawx83@yahoo.com.cn

(Received 8 April 2011; accepted 23 April 2011; online 7 May 2011)

In the title mononuclear complex, [Cd(C₁₄H₁₀NO₃)₂(CH₃OH)₄], the Cd²⁺ cation is situated on an inversion centre. It exhibits a distorted octahedral coordination, defined by two carboxylate O atoms from two monodentate anions and by four O atoms from four methanol molecules. The crystal structure comprises intramolecular O—H⋯O and O—H⋯N, and intermolecular O—H⋯O hydrogen bonds. The latter help to construct a layered structure extending parallel to (100).

Related literature

For background to Schiff base ligands, see: Garnovskii et al. (1993 ); Banerjee et al. (2004 ); Zhong et al. (2009 ). For background to cadmium complexes, see: Meng et al. (2004 ); Wang et al. (2010 ).

Experimental

Crystal data

[Cd(C₁₄H₁₀NO₃)₂(CH₄O)₄]
M_r = 721.04
Monoclinic, P 2₁ /c
a = 15.564 (3) Å
b = 11.937 (2) Å
c = 8.8946 (18) Å
β = 99.69 (3)°
V = 1629.0 (6) Å³
Z = 2
Mo Kα radiation
μ = 0.73 mm⁻¹
T = 293 K
0.21 × 0.19 × 0.16 mm

Data collection

Rigaku Saturn diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2006 ) T_min = 0.862, T_max = 0.892
7793 measured reflections
2760 independent reflections
2137 reflections with I > 2σ(I)
R_int = 0.055

Refinement

R[F² > 2σ(F²)] = 0.072
wR(F²) = 0.166
S = 1.13
2760 reflections
202 parameters
H-atom parameters constrained
Δρ_max = 0.97 e Å⁻³
Δρ_min = −0.63 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—O1	2.230 (5)
Cd1—O4	2.295 (5)
Cd1—O3	2.315 (5)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H4⋯O2	0.87	1.87	2.653 (7)	150
O5—H5⋯N1	0.82	1.90	2.632 (9)	148
O3—H3⋯O2ⁱ	0.85	1.83	2.640 (7)	160
Symmetry code: (i) $[-x+2, y+{\script{1\over 2}}, -z+{\script{5\over 2}}]$ .

Data collection: CrystalClear (Rigaku/MSC, 2006); 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: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811015364/wm2478sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811015364/wm2478Isup2.hkl

Supporting information file. DOI: 10.1107/S1600536811015364/wm2478Isup3.cdx

checkCIF report

Comment top

Schiff base ligands played an important role in the development of coordination chemistry due to their metal binding ability (Garnovskii et al., 1993). Schiff bases and their metal complexes have numerous applications in biological systems and material sciences (Banerjee et al., 2004; Zhong et al., 2009). The Cd²⁺ ion is a good model atom to construct complexes owing to its property to form bonds with different types of donors simultaneously, and to its various coordination modes (Meng et al., 2004; Wang et al., 2010). In this work, we describe the synthesis and structure of the title complex, [Cd(C₁₄H₁₀NO₃)₂(CH₃OH)₄], (I).

In complex (I), the Cd²⁺ ion is situated on an inversion centre and is six-coordinated by two carboxylate O atoms from two monodentate ligands and by four O atoms from four methanol molecules (Fig. 1). The dihedral angle between the phenyl ring and the benzylidenimino moiety is 23.4 (4) °.

The crystal structure of (I) comprises intramolecular O—H···O and O—H···N hydrogen bonds that help to stabilize the molecular conformation. Intermolecular O—H···O hydrogen bonds between methanol molecules and the free carboxylate O atoms of neighbouring molecules construct a layered structure extending parallel to (100), as shown in Fig. 2.

Related literature top

For background to Schiff base ligands, see: Garnovskii et al. (1993); Banerjee et al. (2004); Zhong et al. (2009). For background to cadmium complexes, see: Meng et al. (2004); Wang et al. (2010).

Experimental top

N-(4-carboxyphenyl)salicylideneimine (0.04 mmol, 0.0097 g) in methanol (6 ml) was added dropwise to a methanol solution (5 ml) of CdCl₂ (0.02 mmol, 0.0037 g) in methanol. The resulting solution was allowed to stand at room temperature. After two weeks good quality crystals with pale yellow colour were obtained and were dried in air.

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2006); cell refinement: CrystalClear (Rigaku/MSC, 2006); data reduction: CrystalClear (Rigaku/MSC, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. View of the molecular structure of (I), showing the labelling of the non-H atoms and atomic displacement parameters at the 30% probability level. [Symmetry code: A) -x+2, -y+1, -z+3.]
	Fig. 2. View of the packing of the structure of (I), showing intermolecular hydrogen bonding (dotted lines). H atoms have been omited for clarity.

Bis[4-(2-hydroxybenzylideneamino)benzoato-κO¹]tetrakis(methanol- κO)cadmium top

Crystal data top

[Cd(C₁₄H₁₀NO₃)₂(CH₄O)₄]	F(000) = 740
M_r = 721.04	D_x = 1.470 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3109 reflections
a = 15.564 (3) Å	θ = 2.2–28.0°
b = 11.937 (2) Å	µ = 0.73 mm⁻¹
c = 8.8946 (18) Å	T = 293 K
β = 99.69 (3)°	Prism, pale yellow
V = 1629.0 (6) Å³	0.21 × 0.19 × 0.16 mm
Z = 2

Data collection top

Rigaku Saturn diffractometer	2760 independent reflections
Radiation source: fine-focus sealed tube	2137 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.055
Detector resolution: 28.5714 pixels mm^-1	θ_max = 25.0°, θ_min = 2.2°
ω scans	h = −18→18
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2006)	k = −14→10
T_min = 0.862, T_max = 0.892	l = −10→9
7793 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)] = 0.072	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.166	H-atom parameters constrained
S = 1.13	w = 1/[σ²(F_o²) + (0.0483P)² + 5.4285P] where P = (F_o² + 2F_c²)/3
2760 reflections	(Δ/σ)_max < 0.001
202 parameters	Δρ_max = 0.97 e Å⁻³
0 restraints	Δρ_min = −0.63 e Å⁻³

Crystal data top

[Cd(C₁₄H₁₀NO₃)₂(CH₄O)₄]	V = 1629.0 (6) Å³
M_r = 721.04	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 15.564 (3) Å	µ = 0.73 mm⁻¹
b = 11.937 (2) Å	T = 293 K
c = 8.8946 (18) Å	0.21 × 0.19 × 0.16 mm
β = 99.69 (3)°

Data collection top

Rigaku Saturn diffractometer	2760 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2006)	2137 reflections with I > 2σ(I)
T_min = 0.862, T_max = 0.892	R_int = 0.055
7793 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.072	0 restraints
wR(F²) = 0.166	H-atom parameters constrained
S = 1.13	Δρ_max = 0.97 e Å⁻³
2760 reflections	Δρ_min = −0.63 e Å⁻³
202 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	1.0000	0.5000	1.5000	0.0478 (3)
N1	0.5587 (4)	0.4273 (6)	0.7851 (7)	0.0592 (17)
O1	0.8888 (4)	0.4749 (4)	1.3094 (6)	0.0591 (15)
O2	0.9173 (4)	0.3047 (4)	1.2333 (7)	0.0740 (18)
O3	1.0768 (4)	0.5897 (4)	1.3338 (6)	0.0684 (16)
H3	1.0698	0.6603	1.3269	0.103*
O4	1.0614 (3)	0.3361 (4)	1.4350 (6)	0.0605 (14)
H4	1.0252	0.3053	1.3620	0.091*
O5	0.4108 (4)	0.5348 (5)	0.7011 (8)	0.0810 (19)
H5	0.4577	0.5198	0.7542	0.122*
C1	0.8710 (5)	0.3913 (6)	1.2257 (8)	0.0513 (18)
C2	0.7912 (5)	0.3969 (6)	1.1089 (7)	0.0467 (17)
C3	0.7585 (5)	0.3037 (6)	1.0221 (9)	0.062 (2)
H3A	0.7881	0.2358	1.0373	0.075*
C4	0.6827 (5)	0.3101 (6)	0.9135 (9)	0.066 (2)
H4A	0.6622	0.2472	0.8570	0.079*
C5	0.6378 (5)	0.4124 (6)	0.8902 (8)	0.0519 (19)
C6	0.6693 (5)	0.5042 (7)	0.9765 (9)	0.061 (2)
H6	0.6398	0.5722	0.9619	0.073*
C7	0.7443 (6)	0.4964 (6)	1.0843 (8)	0.062 (2)
H7	0.7638	0.5592	1.1419	0.074*
C8	0.5382 (5)	0.3639 (7)	0.6702 (9)	0.063 (2)
H8	0.5776	0.3100	0.6491	0.076*
C9	0.4532 (5)	0.3738 (7)	0.5696 (9)	0.059 (2)
C10	0.4316 (6)	0.2979 (8)	0.4527 (10)	0.076 (3)
H10	0.4725	0.2449	0.4347	0.092*
C11	0.3504 (7)	0.2990 (8)	0.3616 (11)	0.084 (3)
H11	0.3353	0.2445	0.2870	0.101*
C12	0.2932 (6)	0.3808 (9)	0.3826 (11)	0.082 (3)
H12	0.2400	0.3841	0.3170	0.099*
C13	0.3112 (6)	0.4603 (8)	0.4994 (11)	0.076 (3)
H13	0.2700	0.5136	0.5149	0.091*
C14	0.3917 (6)	0.4568 (7)	0.5904 (9)	0.062 (2)
C15	1.0839 (5)	0.5457 (5)	1.1902 (7)	0.091 (3)
H15A	1.1181	0.5955	1.1392	0.137*
H15B	1.0269	0.5378	1.1305	0.137*
H15C	1.1118	0.4738	1.2027	0.137*
C16	1.1049 (5)	0.2536 (5)	1.5305 (7)	0.079 (3)
H16A	1.1236	0.1942	1.4708	0.118*
H16B	1.0663	0.2241	1.5943	0.118*
H16C	1.1547	0.2867	1.5931	0.118*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.0584 (5)	0.0351 (4)	0.0469 (4)	0.0027 (4)	0.0006 (3)	−0.0028 (3)
N1	0.055 (4)	0.069 (4)	0.053 (4)	0.000 (3)	0.004 (3)	0.003 (3)
O1	0.064 (4)	0.047 (3)	0.061 (3)	0.006 (2)	−0.005 (3)	−0.015 (2)
O2	0.073 (4)	0.047 (3)	0.090 (4)	0.010 (3)	−0.022 (3)	−0.015 (3)
O3	0.098 (5)	0.048 (3)	0.063 (3)	−0.011 (3)	0.023 (3)	0.006 (2)
O4	0.063 (4)	0.043 (3)	0.069 (3)	0.011 (2)	−0.006 (3)	−0.008 (2)
O5	0.064 (4)	0.086 (4)	0.094 (5)	0.018 (3)	0.015 (4)	−0.003 (3)
C1	0.060 (5)	0.047 (4)	0.046 (4)	−0.004 (4)	0.005 (4)	0.000 (3)
C2	0.045 (4)	0.054 (4)	0.041 (4)	−0.008 (3)	0.006 (3)	−0.001 (3)
C3	0.066 (6)	0.046 (4)	0.069 (5)	0.001 (4)	−0.004 (4)	−0.003 (4)
C4	0.066 (6)	0.053 (4)	0.068 (5)	−0.007 (4)	−0.018 (4)	−0.006 (4)
C5	0.051 (5)	0.060 (5)	0.045 (4)	−0.001 (4)	0.006 (4)	0.008 (3)
C6	0.064 (5)	0.059 (4)	0.056 (5)	0.006 (4)	−0.001 (4)	0.000 (4)
C7	0.085 (6)	0.050 (4)	0.045 (4)	0.000 (4)	−0.007 (4)	0.001 (3)
C8	0.057 (5)	0.067 (5)	0.065 (5)	0.004 (4)	0.008 (4)	0.003 (4)
C9	0.043 (5)	0.070 (5)	0.060 (5)	−0.007 (4)	0.001 (4)	0.013 (4)
C10	0.078 (7)	0.072 (6)	0.074 (6)	−0.002 (5)	−0.002 (5)	−0.003 (5)
C11	0.078 (7)	0.082 (7)	0.085 (7)	−0.013 (6)	−0.007 (6)	−0.007 (5)
C12	0.061 (6)	0.097 (7)	0.082 (7)	−0.010 (5)	−0.010 (5)	0.022 (6)
C13	0.056 (6)	0.085 (6)	0.085 (7)	0.011 (5)	0.005 (5)	0.013 (5)
C14	0.057 (6)	0.076 (5)	0.055 (5)	−0.009 (4)	0.012 (4)	0.000 (4)
C15	0.137 (10)	0.059 (5)	0.084 (7)	0.012 (6)	0.036 (7)	0.005 (5)
C16	0.085 (7)	0.055 (5)	0.096 (7)	0.023 (5)	0.016 (6)	0.020 (5)

Geometric parameters (Å, º) top

Cd1—O1	2.230 (5)	C5—C6	1.380 (10)
Cd1—O1ⁱ	2.230 (5)	C6—C7	1.384 (11)
Cd1—O4ⁱ	2.295 (5)	C6—H6	0.9300
Cd1—O4	2.295 (5)	C7—H7	0.9300
Cd1—O3ⁱ	2.315 (5)	C8—C9	1.472 (10)
Cd1—O3	2.315 (5)	C8—H8	0.9300
N1—C8	1.270 (9)	C9—C10	1.377 (11)
N1—C5	1.425 (9)	C9—C14	1.412 (11)
O1—C1	1.248 (8)	C10—C11	1.382 (12)
O2—C1	1.255 (8)	C10—H10	0.9300
O3—C15	1.403 (8)	C11—C12	1.356 (13)
O3—H3	0.8507	C11—H11	0.9300
O4—C16	1.398 (7)	C12—C13	1.401 (13)
O4—H4	0.8668	C12—H12	0.9300
O5—C14	1.352 (10)	C13—C14	1.373 (12)
O5—H5	0.8200	C13—H13	0.9300
C1—C2	1.481 (9)	C15—H15A	0.9600
C2—C7	1.391 (10)	C15—H15B	0.9600
C2—C3	1.400 (9)	C15—H15C	0.9600
C3—C4	1.395 (10)	C16—H16A	0.9600
C3—H3A	0.9300	C16—H16B	0.9599
C4—C5	1.405 (10)	C16—H16C	0.9601
C4—H4A	0.9300

O1—Cd1—O1ⁱ	180.000 (1)	C5—C6—C7	120.7 (7)
O1—Cd1—O4ⁱ	90.19 (17)	C5—C6—H6	119.6
O1ⁱ—Cd1—O4ⁱ	89.81 (17)	C7—C6—H6	119.6
O1—Cd1—O4	89.81 (17)	C6—C7—C2	121.7 (7)
O1ⁱ—Cd1—O4	90.19 (17)	C6—C7—H7	119.1
O4ⁱ—Cd1—O4	180.000 (1)	C2—C7—H7	119.1
O1—Cd1—O3ⁱ	90.3 (2)	N1—C8—C9	121.4 (8)
O1ⁱ—Cd1—O3ⁱ	89.7 (2)	N1—C8—H8	119.3
O4ⁱ—Cd1—O3ⁱ	87.23 (19)	C9—C8—H8	119.3
O4—Cd1—O3ⁱ	92.77 (19)	C10—C9—C14	118.4 (8)
O1—Cd1—O3	89.7 (2)	C10—C9—C8	119.1 (8)
O1ⁱ—Cd1—O3	90.3 (2)	C14—C9—C8	122.5 (8)
O4ⁱ—Cd1—O3	92.77 (19)	C9—C10—C11	121.3 (9)
O4—Cd1—O3	87.23 (19)	C9—C10—H10	119.4
O3ⁱ—Cd1—O3	180.000 (1)	C11—C10—H10	119.4
C8—N1—C5	121.8 (7)	C12—C11—C10	118.9 (9)
C1—O1—Cd1	128.8 (5)	C12—C11—H11	120.5
C15—O3—Cd1	122.5 (4)	C10—C11—H11	120.5
C15—O3—H3	109.5	C11—C12—C13	122.4 (9)
Cd1—O3—H3	115.5	C11—C12—H12	118.8
C16—O4—Cd1	128.8 (4)	C13—C12—H12	118.8
C16—O4—H4	110.1	C14—C13—C12	117.7 (9)
Cd1—O4—H4	107.7	C14—C13—H13	121.1
C14—O5—H5	109.5	C12—C13—H13	121.1
O1—C1—O2	124.0 (7)	O5—C14—C13	118.4 (9)
O1—C1—C2	117.3 (7)	O5—C14—C9	120.5 (7)
O2—C1—C2	118.7 (6)	C13—C14—C9	121.0 (8)
C7—C2—C3	117.3 (7)	O3—C15—H15A	109.5
C7—C2—C1	120.3 (6)	O3—C15—H15B	109.5
C3—C2—C1	122.3 (7)	H15A—C15—H15B	109.5
C4—C3—C2	121.6 (7)	O3—C15—H15C	109.5
C4—C3—H3A	119.2	H15A—C15—H15C	109.5
C2—C3—H3A	119.2	H15B—C15—H15C	109.5
C3—C4—C5	119.4 (7)	O4—C16—H16A	110.1
C3—C4—H4A	120.3	O4—C16—H16B	109.4
C5—C4—H4A	120.3	H16A—C16—H16B	109.5
C6—C5—C4	119.1 (7)	O4—C16—H16C	108.9
C6—C5—N1	116.9 (7)	H16A—C16—H16C	109.5
C4—C5—N1	124.0 (7)	H16B—C16—H16C	109.5

O4ⁱ—Cd1—O1—C1	−171.4 (7)	C3—C4—C5—N1	−178.4 (7)
O4—Cd1—O1—C1	8.6 (7)	C8—N1—C5—C6	157.7 (8)
O3ⁱ—Cd1—O1—C1	−84.2 (7)	C8—N1—C5—C4	−24.4 (12)
O3—Cd1—O1—C1	95.8 (7)	C4—C5—C6—C7	0.2 (12)
O1—Cd1—O3—C15	−47.5 (5)	N1—C5—C6—C7	178.2 (7)
O1ⁱ—Cd1—O3—C15	132.5 (5)	C5—C6—C7—C2	0.8 (13)
O4ⁱ—Cd1—O3—C15	−137.7 (5)	C3—C2—C7—C6	−1.3 (12)
O4—Cd1—O3—C15	42.3 (5)	C1—C2—C7—C6	−179.8 (7)
O1—Cd1—O4—C16	−140.8 (6)	C5—N1—C8—C9	174.8 (7)
O1ⁱ—Cd1—O4—C16	39.2 (6)	N1—C8—C9—C10	−175.5 (8)
O3ⁱ—Cd1—O4—C16	−50.5 (6)	N1—C8—C9—C14	3.0 (13)
O3—Cd1—O4—C16	129.5 (6)	C14—C9—C10—C11	−2.9 (13)
Cd1—O1—C1—O2	−2.5 (12)	C8—C9—C10—C11	175.6 (8)
Cd1—O1—C1—C2	178.8 (5)	C9—C10—C11—C12	4.0 (15)
O1—C1—C2—C7	6.8 (11)	C10—C11—C12—C13	−4.0 (16)
O2—C1—C2—C7	−171.9 (8)	C11—C12—C13—C14	3.0 (15)
O1—C1—C2—C3	−171.6 (7)	C12—C13—C14—O5	178.3 (8)
O2—C1—C2—C3	9.7 (11)	C12—C13—C14—C9	−1.9 (14)
C7—C2—C3—C4	1.0 (12)	C10—C9—C14—O5	−178.3 (8)
C1—C2—C3—C4	179.4 (7)	C8—C9—C14—O5	3.2 (13)
C2—C3—C4—C5	−0.1 (13)	C10—C9—C14—C13	1.9 (13)
C3—C4—C5—C6	−0.5 (12)	C8—C9—C14—C13	−176.6 (8)

Symmetry code: (i) −x+2, −y+1, −z+3.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4···O2	0.87	1.87	2.653 (7)	150
O5—H5···N1	0.82	1.90	2.632 (9)	148
O3—H3···O2ⁱⁱ	0.85	1.83	2.640 (7)	160

Symmetry code: (ii) −x+2, y+1/2, −z+5/2.

Experimental details

Crystal data
Chemical formula	[Cd(C₁₄H₁₀NO₃)₂(CH₄O)₄]
M_r	721.04
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	15.564 (3), 11.937 (2), 8.8946 (18)
β (°)	99.69 (3)
V (Å³)	1629.0 (6)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.73
Crystal size (mm)	0.21 × 0.19 × 0.16

Data collection
Diffractometer	Rigaku Saturn diffractometer
Absorption correction	Multi-scan (CrystalClear; Rigaku/MSC, 2006)
T_min, T_max	0.862, 0.892
No. of measured, independent and observed [I > 2σ(I)] reflections	7793, 2760, 2137
R_int	0.055
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.072, 0.166, 1.13
No. of reflections	2760
No. of parameters	202
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.97, −0.63

Computer programs: CrystalClear (Rigaku/MSC, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP in SHELXTL (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cd1—O1	2.230 (5)	Cd1—O3	2.315 (5)
Cd1—O4	2.295 (5)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4···O2	0.87	1.87	2.653 (7)	150
O5—H5···N1	0.82	1.90	2.632 (9)	148
O3—H3···O2ⁱ	0.85	1.83	2.640 (7)	160

Symmetry code: (i) −x+2, y+1/2, −z+5/2.

Acknowledgements

The authors thank the Department of Science and Technology of Henan Province for financial support (No. 082102330003), and Professor Hong-Wei Hou and Meng Xiang-Ru of Zhengzhou University for their help.

References

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