Hexaaqua­cadmium(II) bis­[4-(2-hydroxy­benzyl­ideneamino)benzene­sulfonate] dihydrate

Tai, X.-S.; Xu, J.; Feng, Y.-M.; Liang, Z.-P.

doi:10.1107/S1600536808010878

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 5| May 2008| Page m694

doi:10.1107/S1600536808010878

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Hexaaquacadmium(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate] dihydrate

Xi-Shi Tai,^a ^* Jun Xu,^b Yi-Min Feng ^a and Zu-Pei Liang ^a

^aDepartment of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China, and ^bWeifang Institute of Supervision and Inspection of Product Quality, Weifang 261031, People's Republic of China
^*Correspondence e-mail: taixishi@lzu.edu.cn

(Received 18 April 2008; accepted 18 April 2008; online 23 April 2008)

In the title compound, [Cd(H₂O)₆](C₁₃H₁₀NO₄S)₂·2H₂O, the Cd atom (site symmetry $[\overline{1}]$ ) adopts a regular octahedral coordination and the anion is stabilized by an intramolecular O—H⋯N hydrogen bond. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules lead to a three-dimensional network.

Related literature

For related literature, see: Tai et al. (2008 ).

Experimental

Crystal data

[Cd(H₂O)₆](C₁₃H₁₀NO₄S)₂·2H₂O
M_r = 809.09
Monoclinic, P 2₁ /c
a = 18.464 (2) Å
b = 6.1488 (8) Å
c = 14.5701 (12) Å
β = 92.226 (2)°
V = 1652.9 (3) Å³
Z = 2
Mo Kα radiation
μ = 0.86 mm⁻¹
T = 298 (2) K
0.48 × 0.45 × 0.18 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ) T_min = 0.682, T_max = 0.860
7936 measured reflections
2904 independent reflections
2447 reflections with I > 2σ(I)
R_int = 0.035

Refinement

R[F² > 2σ(F²)] = 0.028
wR(F²) = 0.075
S = 1.06
2904 reflections
214 parameters
H-atom parameters constrained
Δρ_max = 0.28 e Å⁻³
Δρ_min = −0.60 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—O5	2.2684 (19)
Cd1—O7	2.2826 (18)
Cd1—O6	2.2862 (17)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H4⋯N1	0.82	1.89	2.611 (3)	147
O5—H5A⋯O1ⁱ	0.85	2.07	2.909 (3)	170
O5—H5B⋯O8ⁱⁱ	0.85	1.92	2.750 (3)	167
O6—H6A⋯O8ⁱⁱⁱ	0.85	1.93	2.778 (3)	177
O6—H6B⋯O2^iv	0.85	1.97	2.802 (3)	166
O7—H7A⋯O1	0.85	1.95	2.793 (3)	174
O7—H7B⋯O3ⁱ	0.85	1.91	2.757 (3)	172
O8—H8A⋯O2	0.85	1.90	2.750 (3)	176
O8—H8B⋯O3ⁱ	0.85	2.00	2.851 (3)	176
Symmetry codes: (i) x, y-1, z; (ii) $[-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (iii) -x+1, -y+1, -z+1; (iv) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); 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/S1600536808010878/hb2722sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808010878/hb2722Isup2.hkl

checkCIF report

Comment top

As part of our ongoing studies of the synthesis and coordination chemistry of Schiff-base ligands (e.g. Tai et al., 2008), we now report the synthesis and structure of the title compound, (I), (Fig. 1), in which the organic species does not coordiate to the metal and a hydrated molecular salt arises.

The Cd atom (site symmetry 1) in (I) is bonded to six water molecules (Table 1). The anion is stablisied by an intramolecular O-H···N hydrogen bond (Table 2), which perhaps correlates with the fact that the aromatic rings are almost co-planar [dihedral angle = 4.09 (14)°].

The water molecules, both bound and unbound, participate in O-H···O hydrogen bonds to link the component speices into a three-dimensional network.

Related literature top

For related literature, see: Tai et al. (2008).

Experimental top

1 mmol of cadmium nitrate was added to a solution of salicylaldehyde-4-aminobenzene sulfonic acid (1 mmol) in 10 ml of 95% ethanol. The mixture was stirred for 2 h at refluxing temperature. Evaporating some ethanol, clear blocks of (I) were obtained after one weeks.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); 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 (I) showing 50% displacement ellipsoids (arbitrary spheres for the H atoms). The hydrogen bonds are indicated by double-dashed lines. Symmetry code: (i) 1-x, 1-y, 1-z.

Hexaaquacadmium(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate] dihydrate top

Crystal data top

[Cd(H₂O)₆](C₁₃H₁₀NO₄S)₂·2H₂O	F(000) = 828
M_r = 809.09	D_x = 1.626 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 4564 reflections
a = 18.464 (2) Å	θ = 2.6–27.9°
b = 6.1488 (8) Å	µ = 0.86 mm⁻¹
c = 14.5701 (12) Å	T = 298 K
β = 92.226 (2)°	Block, colourless
V = 1652.9 (3) Å³	0.48 × 0.45 × 0.18 mm
Z = 2

Data collection top

Bruker SMART CCD diffractometer	2904 independent reflections
Radiation source: fine-focus sealed tube	2447 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.035
ω scans	θ_max = 25.0°, θ_min = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −21→21
T_min = 0.682, T_max = 0.860	k = −7→5
7936 measured reflections	l = −17→16

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)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.075	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.0376P)² + 0.6281P] where P = (F_o² + 2F_c²)/3
2904 reflections	(Δ/σ)_max < 0.001
214 parameters	Δρ_max = 0.28 e Å⁻³
0 restraints	Δρ_min = −0.60 e Å⁻³

Crystal data top

[Cd(H₂O)₆](C₁₃H₁₀NO₄S)₂·2H₂O	V = 1652.9 (3) Å³
M_r = 809.09	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 18.464 (2) Å	µ = 0.86 mm⁻¹
b = 6.1488 (8) Å	T = 298 K
c = 14.5701 (12) Å	0.48 × 0.45 × 0.18 mm
β = 92.226 (2)°

Data collection top

Bruker SMART CCD diffractometer	2904 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2000)	2447 reflections with I > 2σ(I)
T_min = 0.682, T_max = 0.860	R_int = 0.035
7936 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.028	0 restraints
wR(F²) = 0.075	H-atom parameters constrained
S = 1.06	Δρ_max = 0.28 e Å⁻³
2904 reflections	Δρ_min = −0.60 e Å⁻³
214 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	0.5000	0.5000	0.5000	0.03115 (11)
N1	0.00853 (11)	0.8935 (4)	0.61988 (16)	0.0392 (5)
O1	0.35962 (10)	0.9727 (3)	0.59697 (14)	0.0419 (5)
O2	0.34686 (10)	0.9949 (3)	0.76142 (14)	0.0424 (5)
O3	0.33264 (10)	1.3176 (3)	0.66883 (14)	0.0425 (5)
O4	−0.09042 (11)	0.6152 (4)	0.56383 (17)	0.0655 (7)
H4	−0.0493	0.6618	0.5742	0.098*
O5	0.50034 (11)	0.1696 (3)	0.56929 (14)	0.0472 (5)
H5A	0.4573	0.1274	0.5779	0.057*
H5B	0.5235	0.1750	0.6208	0.057*
O6	0.46644 (10)	0.3400 (3)	0.36324 (12)	0.0425 (5)
H6A	0.4997	0.3570	0.3251	0.051*
H6B	0.4279	0.3987	0.3412	0.051*
O7	0.38005 (10)	0.5588 (3)	0.52336 (13)	0.0415 (5)
H7A	0.3745	0.6886	0.5418	0.050*
H7B	0.3663	0.4736	0.5652	0.050*
O8	0.42645 (10)	0.6168 (3)	0.76420 (13)	0.0462 (5)
H8A	0.4035	0.7366	0.7646	0.055*
H8B	0.4000	0.5230	0.7362	0.055*
S1	0.32404 (3)	1.08214 (11)	0.67158 (5)	0.03098 (16)
C1	0.23015 (14)	1.0294 (4)	0.65692 (18)	0.0296 (6)
C2	0.18127 (14)	1.1822 (5)	0.6840 (2)	0.0463 (8)
H2	0.1976	1.3125	0.7098	0.056*
C3	0.10786 (15)	1.1428 (5)	0.6730 (2)	0.0523 (9)
H3	0.0749	1.2470	0.6912	0.063*
C4	0.08304 (14)	0.9485 (5)	0.63495 (19)	0.0343 (6)
C5	0.13250 (15)	0.7954 (5)	0.6086 (2)	0.0447 (7)
H5	0.1163	0.6647	0.5830	0.054*
C6	0.20627 (14)	0.8343 (5)	0.6199 (2)	0.0440 (7)
H6	0.2395	0.7296	0.6027	0.053*
C7	−0.04225 (15)	1.0304 (5)	0.6320 (2)	0.0406 (7)
H7	−0.0302	1.1709	0.6507	0.049*
C8	−0.11807 (14)	0.9738 (4)	0.61762 (19)	0.0368 (7)
C9	−0.13909 (15)	0.7700 (5)	0.5839 (2)	0.0437 (7)
C10	−0.21291 (15)	0.7219 (5)	0.5712 (2)	0.0522 (8)
H10	−0.2273	0.5861	0.5491	0.063*
C11	−0.26382 (16)	0.8743 (6)	0.5911 (2)	0.0521 (8)
H11	−0.3127	0.8403	0.5826	0.063*
C12	−0.24418 (16)	1.0779 (6)	0.6235 (2)	0.0529 (8)
H12	−0.2793	1.1808	0.6361	0.064*
C13	−0.17160 (15)	1.1260 (5)	0.6369 (2)	0.0464 (7)
H13	−0.1580	1.2623	0.6592	0.056*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.03180 (16)	0.03028 (17)	0.03128 (16)	0.00014 (11)	0.00026 (11)	−0.00045 (11)
N1	0.0266 (12)	0.0439 (14)	0.0467 (14)	−0.0041 (11)	−0.0031 (10)	−0.0035 (11)
O1	0.0316 (10)	0.0456 (12)	0.0490 (12)	−0.0008 (8)	0.0082 (9)	−0.0114 (9)
O2	0.0331 (10)	0.0496 (13)	0.0438 (12)	−0.0010 (8)	−0.0079 (9)	0.0034 (9)
O3	0.0378 (10)	0.0300 (10)	0.0600 (13)	−0.0074 (8)	0.0050 (9)	−0.0035 (9)
O4	0.0424 (12)	0.0513 (14)	0.102 (2)	−0.0018 (11)	−0.0095 (12)	−0.0244 (14)
O5	0.0534 (12)	0.0412 (12)	0.0463 (12)	−0.0071 (10)	−0.0058 (9)	0.0082 (9)
O6	0.0426 (11)	0.0443 (11)	0.0399 (11)	0.0034 (9)	−0.0062 (9)	−0.0043 (9)
O7	0.0358 (10)	0.0384 (11)	0.0508 (12)	0.0016 (9)	0.0067 (9)	−0.0007 (9)
O8	0.0505 (12)	0.0381 (12)	0.0492 (12)	0.0031 (9)	−0.0094 (9)	−0.0032 (9)
S1	0.0249 (3)	0.0302 (3)	0.0378 (4)	−0.0031 (3)	0.0007 (3)	−0.0016 (3)
C1	0.0258 (13)	0.0322 (15)	0.0306 (13)	−0.0012 (11)	0.0004 (10)	−0.0005 (11)
C2	0.0330 (15)	0.0418 (17)	0.064 (2)	−0.0024 (13)	−0.0032 (14)	−0.0210 (15)
C3	0.0283 (14)	0.052 (2)	0.076 (2)	0.0050 (14)	−0.0011 (14)	−0.0259 (17)
C4	0.0285 (14)	0.0411 (16)	0.0332 (14)	−0.0034 (12)	−0.0013 (11)	−0.0016 (12)
C5	0.0329 (14)	0.0346 (16)	0.066 (2)	−0.0045 (13)	−0.0012 (13)	−0.0125 (14)
C6	0.0294 (14)	0.0326 (16)	0.070 (2)	−0.0018 (12)	0.0036 (13)	−0.0113 (14)
C7	0.0344 (15)	0.0415 (17)	0.0458 (17)	−0.0083 (13)	0.0000 (13)	0.0011 (13)
C8	0.0274 (14)	0.0446 (18)	0.0384 (15)	−0.0035 (12)	−0.0001 (11)	0.0035 (12)
C9	0.0354 (15)	0.0475 (18)	0.0477 (17)	−0.0032 (14)	−0.0036 (13)	0.0003 (14)
C10	0.0398 (17)	0.055 (2)	0.061 (2)	−0.0140 (15)	−0.0127 (14)	0.0020 (16)
C11	0.0293 (15)	0.076 (3)	0.0501 (19)	−0.0080 (16)	−0.0062 (13)	0.0125 (17)
C12	0.0331 (16)	0.069 (2)	0.057 (2)	0.0102 (16)	0.0052 (14)	0.0098 (17)
C13	0.0389 (16)	0.0487 (19)	0.0517 (18)	0.0001 (14)	0.0025 (13)	0.0026 (14)

Geometric parameters (Å, º) top

Cd1—O5	2.2684 (19)	C1—C2	1.371 (4)
Cd1—O5ⁱ	2.2684 (19)	C1—C6	1.380 (4)
Cd1—O7	2.2826 (18)	C2—C3	1.380 (4)
Cd1—O7ⁱ	2.2826 (18)	C2—H2	0.9300
Cd1—O6ⁱ	2.2862 (17)	C3—C4	1.388 (4)
Cd1—O6	2.2862 (17)	C3—H3	0.9300
N1—C7	1.278 (4)	C4—C5	1.377 (4)
N1—C4	1.425 (3)	C5—C6	1.386 (4)
O1—S1	1.4565 (19)	C5—H5	0.9300
O2—S1	1.462 (2)	C6—H6	0.9300
O3—S1	1.4570 (19)	C7—C8	1.450 (4)
O4—C9	1.349 (4)	C7—H7	0.9300
O4—H4	0.8200	C8—C9	1.395 (4)
O5—H5A	0.8499	C8—C13	1.398 (4)
O5—H5B	0.8501	C9—C10	1.400 (4)
O6—H6A	0.8500	C10—C11	1.366 (4)
O6—H6B	0.8501	C10—H10	0.9300
O7—H7A	0.8500	C11—C12	1.381 (5)
O7—H7B	0.8500	C11—H11	0.9300
O8—H8A	0.8499	C12—C13	1.379 (4)
O8—H8B	0.8499	C12—H12	0.9300
S1—C1	1.768 (3)	C13—H13	0.9300

O5—Cd1—O5ⁱ	180.0	C1—C2—C3	120.1 (3)
O5—Cd1—O7	93.52 (7)	C1—C2—H2	120.0
O5ⁱ—Cd1—O7	86.48 (7)	C3—C2—H2	120.0
O5—Cd1—O7ⁱ	86.48 (7)	C2—C3—C4	120.3 (3)
O5ⁱ—Cd1—O7ⁱ	93.52 (7)	C2—C3—H3	119.8
O7—Cd1—O7ⁱ	180.0	C4—C3—H3	119.8
O5—Cd1—O6ⁱ	90.09 (7)	C5—C4—C3	119.2 (2)
O5ⁱ—Cd1—O6ⁱ	89.91 (7)	C5—C4—N1	116.2 (2)
O7—Cd1—O6ⁱ	91.93 (7)	C3—C4—N1	124.6 (3)
O7ⁱ—Cd1—O6ⁱ	88.07 (7)	C4—C5—C6	120.5 (3)
O5—Cd1—O6	89.91 (7)	C4—C5—H5	119.7
O5ⁱ—Cd1—O6	90.09 (7)	C6—C5—H5	119.7
O7—Cd1—O6	88.07 (7)	C1—C6—C5	119.6 (3)
O7ⁱ—Cd1—O6	91.93 (7)	C1—C6—H6	120.2
O6ⁱ—Cd1—O6	180.0	C5—C6—H6	120.2
C7—N1—C4	122.1 (2)	N1—C7—C8	122.1 (3)
C9—O4—H4	109.5	N1—C7—H7	119.0
Cd1—O5—H5A	110.6	C8—C7—H7	119.0
Cd1—O5—H5B	110.5	C9—C8—C13	118.9 (3)
H5A—O5—H5B	108.8	C9—C8—C7	121.4 (3)
Cd1—O6—H6A	109.8	C13—C8—C7	119.7 (3)
Cd1—O6—H6B	110.0	O4—C9—C8	122.1 (2)
H6A—O6—H6B	108.4	O4—C9—C10	118.4 (3)
Cd1—O7—H7A	109.0	C8—C9—C10	119.5 (3)
Cd1—O7—H7B	109.2	C11—C10—C9	120.1 (3)
H7A—O7—H7B	107.9	C11—C10—H10	120.0
H8A—O8—H8B	108.3	C9—C10—H10	120.0
O1—S1—O3	112.68 (12)	C10—C11—C12	121.4 (3)
O1—S1—O2	112.09 (12)	C10—C11—H11	119.3
O3—S1—O2	111.19 (12)	C12—C11—H11	119.3
O1—S1—C1	107.08 (12)	C13—C12—C11	118.9 (3)
O3—S1—C1	106.63 (11)	C13—C12—H12	120.5
O2—S1—C1	106.74 (12)	C11—C12—H12	120.5
C2—C1—C6	120.2 (2)	C12—C13—C8	121.2 (3)
C2—C1—S1	119.5 (2)	C12—C13—H13	119.4
C6—C1—S1	120.2 (2)	C8—C13—H13	119.4

O1—S1—C1—C2	−148.3 (2)	S1—C1—C6—C5	−179.8 (2)
O3—S1—C1—C2	−27.4 (3)	C4—C5—C6—C1	−0.8 (5)
O2—S1—C1—C2	91.5 (2)	C4—N1—C7—C8	−179.3 (3)
O1—S1—C1—C6	32.8 (3)	N1—C7—C8—C9	−4.2 (4)
O3—S1—C1—C6	153.7 (2)	N1—C7—C8—C13	176.4 (3)
O2—S1—C1—C6	−87.4 (2)	C13—C8—C9—O4	−180.0 (3)
C6—C1—C2—C3	−1.0 (5)	C7—C8—C9—O4	0.6 (4)
S1—C1—C2—C3	−179.9 (3)	C13—C8—C9—C10	−0.7 (4)
C1—C2—C3—C4	0.2 (5)	C7—C8—C9—C10	179.9 (3)
C2—C3—C4—C5	0.3 (5)	O4—C9—C10—C11	179.7 (3)
C2—C3—C4—N1	−179.3 (3)	C8—C9—C10—C11	0.5 (5)
C7—N1—C4—C5	−172.3 (3)	C9—C10—C11—C12	0.3 (5)
C7—N1—C4—C3	7.3 (5)	C10—C11—C12—C13	−0.8 (5)
C3—C4—C5—C6	0.0 (5)	C11—C12—C13—C8	0.5 (5)
N1—C4—C5—C6	179.6 (3)	C9—C8—C13—C12	0.2 (4)
C2—C1—C6—C5	1.3 (4)	C7—C8—C13—C12	179.6 (3)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4···N1	0.82	1.89	2.611 (3)	147
O5—H5A···O1ⁱⁱ	0.85	2.07	2.909 (3)	170
O5—H5B···O8ⁱⁱⁱ	0.85	1.92	2.750 (3)	167
O6—H6A···O8ⁱ	0.85	1.93	2.778 (3)	177
O6—H6B···O2^iv	0.85	1.97	2.802 (3)	166
O7—H7A···O1	0.85	1.95	2.793 (3)	174
O7—H7B···O3ⁱⁱ	0.85	1.91	2.757 (3)	172
O8—H8A···O2	0.85	1.90	2.750 (3)	176
O8—H8B···O3ⁱⁱ	0.85	2.00	2.851 (3)	176

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

Experimental details

Crystal data
Chemical formula	[Cd(H₂O)₆](C₁₃H₁₀NO₄S)₂·2H₂O
M_r	809.09
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	298
a, b, c (Å)	18.464 (2), 6.1488 (8), 14.5701 (12)
β (°)	92.226 (2)
V (Å³)	1652.9 (3)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.86
Crystal size (mm)	0.48 × 0.45 × 0.18

Data collection
Diffractometer	Bruker SMART CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2000)
T_min, T_max	0.682, 0.860
No. of measured, independent and observed [I > 2σ(I)] reflections	7936, 2904, 2447
R_int	0.035
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.028, 0.075, 1.06
No. of reflections	2904
No. of parameters	214
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.28, −0.60

Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cd1—O5	2.2684 (19)	Cd1—O6	2.2862 (17)
Cd1—O7	2.2826 (18)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4···N1	0.82	1.89	2.611 (3)	147
O5—H5A···O1ⁱ	0.85	2.07	2.909 (3)	170
O5—H5B···O8ⁱⁱ	0.85	1.92	2.750 (3)	167
O6—H6A···O8ⁱⁱⁱ	0.85	1.93	2.778 (3)	177
O6—H6B···O2^iv	0.85	1.97	2.802 (3)	166
O7—H7A···O1	0.85	1.95	2.793 (3)	174
O7—H7B···O3ⁱ	0.85	1.91	2.757 (3)	172
O8—H8A···O2	0.85	1.90	2.750 (3)	176
O8—H8B···O3ⁱ	0.85	2.00	2.851 (3)	176

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

Acknowledgements

The authors thank the National Natural Science Foundation of China (grant No. 20671073), the National Natural Science Foundation of Shandong (grant No. Y2007B60), the Science and Technology Foundation of Weifang and Weifang University for research grants.

References

Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Tai, X.-S., Feng, Y.-M. & Zhang, H.-X. (2008). Acta Cryst. E64, m502. Web of Science CSD CrossRef IUCr Journals Google Scholar

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