A new polymorph of catena-poly[[tri­aqua­cadmium(II)]-μ2-pyrazine-2,3-dicarboxyl­ato]

Yin, H.

doi:10.1107/S1600536809028268

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 65| Part 8| August 2009| Page m971

doi:10.1107/S1600536809028268

Open

access

A new polymorph of catena-poly[[triaquacadmium(II)]-μ₂-pyrazine-2,3-dicarboxylato]

Hua Yin ^a ^*

^aInstrumental Measurement and Analysis Center, Fuzhou University, Fuzhou, Fujian 350002, People's Republic of China
^*Correspondence e-mail: yyh_shd@fzu.edu.cn

(Received 13 July 2009; accepted 17 July 2009; online 22 July 2009)

The title complex, [Cd(C₆H₂N₂O₄)(H₂O)₃]_n, is a new monoclinic polymorph. The orthorhombic form has previously been reported [Ma et al. (2006 ). Acta Cryst. E62, m2528–m2529]. The Cd—N and Cd—O bond lengths range from 2.265 (3) to 2.333 (3) Å; a weak Cd—O interaction is also present, the interatomic distance being 2.658 (4) Å. The Cd^II ions, which have a distorted pentagonal-bipyramidal geometry, are bridged by pyrazine-2,3-dicarboxylato ligands, forming a zigzag chain structure. The chains are connected by O—H⋯O hydrogen bonds into a three-dimensional framework.

Related literature

For the orthorhombic polymorph, see: Ma et al. (2006). For general background and related structures, see: Mao et al. (1996 ); Kitaura et al. (2002 ); Maji et al. (2004 ); Yin & Liu (2007 , 2009 ).

Experimental

Crystal data

[Cd(C₆H₂N₂O₄)(H₂O)₃]
M_r = 332.54
Monoclinic, P 2₁ /n
a = 5.586 (6) Å
b = 15.748 (9) Å
c = 10.832 (6) Å
β = 93.94 (3)°
V = 950.5 (12) Å³
Z = 4
Mo Kα radiation
μ = 2.32 mm⁻¹
T = 293 K
0.25 × 0.23 × 0.18 mm

Data collection

Rigaku Weissenberg IP diffractometer
Absorption correction: multi-scan (TEXRAY; Molecular Structure Corporation, 1999 ) T_min = 0.668, T_max = 1.000 (expected range = 0.440–0.658)
5659 measured reflections
2129 independent reflections
1699 reflections with I > 2σ(I)
R_int = 0.032

Refinement

R[F² > 2σ(F²)] = 0.030
wR(F²) = 0.074
S = 1.03
2129 reflections
145 parameters
9 restraints
H-atom parameters constrained
Δρ_max = 0.82 e Å⁻³
Δρ_min = −0.53 e Å⁻³

Table 1
Selected geometric parameters (Å, °)

Cd1—O3W	2.218 (3)
Cd1—O1	2.265 (3)
Cd1—O3ⁱ	2.294 (3)
Cd1—N1	2.334 (3)
Cd1—O2W	2.397 (4)
Cd1—O1W	2.451 (3)
Symmetry code: (i) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WA⋯O4ⁱⁱ	0.82	2.56	3.328 (5)	156
O2W—H2WA⋯O1ⁱⁱⁱ	0.84	2.02	2.834 (5)	164
O2W—H2WB⋯N2^iv	0.83	2.24	3.036 (4)	161
O3W—H3WA⋯O4^iv	0.85	1.82	2.656 (6)	169
O3W—H3WB⋯O4^v	0.83	2.25	2.865 (4)	132
O3W—H3WB⋯O2^v	0.83	2.22	2.935 (4)	144
Symmetry codes: (ii) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) x-1, y, z; (iv) $[-x-{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (v) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: TEXRAY (Molecular Structure Corporation, 1999); cell refinement: TEXRAY; data reduction: TEXSAN (Molecular Structure Corporation, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEX (McArdle, 1995 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809028268/bt5003sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809028268/bt5003Isup2.hkl

checkCIF report

Comment top

Pyrazine-2,3-dicarboxylic acid (pzdcH₂) as a multidentate bridging ligand has been widely applied to construct polymeric coordination compounds (Mao et al.,1996; Kitaura et al., 2002). Recently, some pzdc-Cd complexes that exhibit selective gas adsorption and photoluminescence were synthesized by self assembling (Maji et al., 2004; Yin et al., 2007; Yin et al., 2009). In this work, a new polymorph of the title compound was obtained by introducing 1,2,4-triazol as the acidity modulating reagent in the reaction of pzdcH₂ and Cd(II) ion.

The title compound is a one-dimensional zigzag chain structure composed of Cd^II ions bridged by pzdc ligands. Cd1 is coordinated by N1, O1 and O3ⁱ atoms from two pzdc ligands [symmetry code (i), -x + 1/2, y + 1/2, -z + 1/2] and three coordinated water molecules (O1W, O2W and O3W) (see Fig. 1). The corresponding bond lengths range from 2.265 (3) to 2.333 (3) Å. The Cd1 atom has a weak interaction with O4ⁱ (Cd1···O4ⁱ = 2.658 (4) Å). Overall, the geometry of Cd may be considered as a distorted pentagonal bipyramid. The title compound crystallizes in the monoclinic space group P2₁/n whereas the already known polymorph crystallizes in the orthorhombic space group P2₁2₁2₁ (Ma et al., 2006). O-H···O hydrogen bonds combine the chains into a three-dimensional framework (Table 2). The neighboring Cd···Cd distance is 8.25 (1) Å.

Related literature top

For the orthorhombic polymorph, see: Ma et al. (2006). For general background and related structures, see: Mao et al. (1996); Kitaura et al. (2002); Maji et al. (2004); Yin et al. (2007, 2009).

Experimental top

By adding an aqueous solution of Cd(OAc)₂ (0.1 mmol) into an aqueous solution of pzdcH₂(0.1 mmol) and 1,2,4-triazol (0.1 mmol), the resulting mixture was stirred for 2 min and filtered immediately. The colorless crystals of the title compound I were isolated after slow evaporation for 3 days. Yield: ca43% based on Cd. Anal. Calcd for C₆H₈N₂O₇Cd: C, 21.65, H, 2.41, N, 8.42; found: C, 21.58, H, 2.36, N, 8.53.

Computing details top

Data collection: TEXRAY (Molecular Structure Corporation, 1999); cell refinement: TEXRAY (Molecular Structure Corporation, 1999); data reduction: TEXSAN (Molecular Structure Corporation, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEX (McArdle, 1995); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

Fig. 1. View of the title compound, showing 30% probability displacement ellipsoids. H atoms have been omitted for clarity. [Symmetry code: (i) -x + 1/2, y + 1/2, -z + 1/2.]

catena-poly[[triaquacadmium(II)]-µ₂-pyrazine-2,3-dicarboxylato] top

Crystal data top

[Cd(C₆H₂N₂O₄)(H₂O)₃]	F(000) = 648
M_r = 332.54	D_x = 2.324 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 4538 reflections
a = 5.586 (6) Å	θ = 3.2–27.5°
b = 15.748 (9) Å	µ = 2.32 mm⁻¹
c = 10.832 (6) Å	T = 293 K
β = 93.94 (3)°	Block, colourless
V = 950.5 (12) Å³	0.25 × 0.23 × 0.18 mm
Z = 4

Data collection top

Weissenberg IP diffractometer	2129 independent reflections
Radiation source: rotor target	1699 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
ω scans	θ_max = 27.5°, θ_min = 3.2°
Absorption correction: multi-scan (TEXRAY; Molecular Structure Corporation, 1999)	h = −7→5
T_min = 0.668, T_max = 1.000	k = −19→20
5659 measured reflections	l = −14→14

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)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.074	H-atom parameters constrained
S = 1.03	w = 1/[σ²(F_o²) + (0.0366P)² + 0.562P] where P = (F_o² + 2F_c²)/3
2129 reflections	(Δ/σ)_max < 0.001
145 parameters	Δρ_max = 0.82 e Å⁻³
9 restraints	Δρ_min = −0.53 e Å⁻³

Crystal data top

[Cd(C₆H₂N₂O₄)(H₂O)₃]	V = 950.5 (12) Å³
M_r = 332.54	Z = 4
Monoclinic, P2₁/n	Mo Kα radiation
a = 5.586 (6) Å	µ = 2.32 mm⁻¹
b = 15.748 (9) Å	T = 293 K
c = 10.832 (6) Å	0.25 × 0.23 × 0.18 mm
β = 93.94 (3)°

Data collection top

Weissenberg IP diffractometer	2129 independent reflections
Absorption correction: multi-scan (TEXRAY; Molecular Structure Corporation, 1999)	1699 reflections with I > 2σ(I)
T_min = 0.668, T_max = 1.000	R_int = 0.032
5659 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.030	9 restraints
wR(F²) = 0.074	H-atom parameters constrained
S = 1.03	Δρ_max = 0.82 e Å⁻³
2129 reflections	Δρ_min = −0.53 e Å⁻³
145 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	0.07189 (6)	0.372955 (14)	0.31158 (2)	0.02540 (10)
O1	0.3289 (6)	0.28668 (14)	0.2181 (2)	0.0294 (6)
O2	0.4160 (6)	0.15343 (17)	0.1696 (2)	0.0319 (7)
O3	0.3399 (7)	−0.01740 (17)	0.3172 (3)	0.0434 (8)
O4	0.1098 (7)	−0.00334 (19)	0.1449 (3)	0.0475 (9)
O1W	0.2872 (7)	0.34613 (18)	0.5126 (2)	0.0374 (7)
H1WA	0.3989	0.3785	0.5318	0.056*
H1WB	0.1887	0.3401	0.5663	0.056*
O2W	−0.2530 (6)	0.37407 (15)	0.1551 (3)	0.0358 (7)
H2WA	−0.3683	0.3410	0.1640	0.054*
H2WB	−0.3071	0.4212	0.1323	0.054*
O3W	−0.1846 (8)	0.4335 (2)	0.4320 (3)	0.0583 (11)
H3WA	−0.3095	0.4581	0.4013	0.088*
H3WB	−0.1945	0.4277	0.5076	0.088*
N1	−0.0445 (7)	0.23327 (16)	0.3472 (3)	0.0218 (7)
N2	−0.1324 (7)	0.06150 (18)	0.3781 (3)	0.0253 (7)
C1	0.0905 (7)	0.17535 (19)	0.2954 (3)	0.0194 (7)
C2	0.0436 (7)	0.0893 (2)	0.3109 (3)	0.0195 (7)
C3	−0.2626 (8)	0.1201 (2)	0.4287 (3)	0.0269 (8)
H3A	−0.3866	0.1031	0.4763	0.032*
C4	−0.2215 (8)	0.2060 (2)	0.4137 (3)	0.0242 (8)
H4A	−0.3187	0.2453	0.4505	0.029*
C5	0.2939 (8)	0.2074 (2)	0.2211 (3)	0.0216 (7)
C6	0.1817 (9)	0.0189 (2)	0.2531 (4)	0.0279 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.02614 (19)	0.01735 (14)	0.03381 (15)	0.00158 (10)	0.00999 (10)	0.00080 (10)
O1	0.029 (2)	0.0203 (10)	0.0414 (13)	−0.0017 (11)	0.0180 (12)	−0.0012 (10)
O2	0.027 (2)	0.0258 (12)	0.0445 (15)	−0.0003 (11)	0.0184 (13)	−0.0045 (11)
O3	0.043 (3)	0.0278 (13)	0.0605 (19)	0.0147 (14)	0.0148 (16)	0.0078 (13)
O4	0.044 (3)	0.0526 (17)	0.0482 (16)	−0.0186 (16)	0.0185 (15)	−0.0300 (14)
O1W	0.034 (2)	0.0431 (14)	0.0351 (14)	−0.0041 (13)	0.0042 (12)	0.0050 (12)
O2W	0.031 (2)	0.0274 (12)	0.0480 (15)	−0.0044 (12)	−0.0024 (13)	0.0038 (11)
O3W	0.053 (3)	0.089 (3)	0.0332 (14)	0.035 (2)	0.0059 (15)	−0.0104 (16)
N1	0.023 (2)	0.0185 (12)	0.0247 (13)	−0.0002 (11)	0.0056 (12)	−0.0004 (11)
N2	0.026 (2)	0.0217 (13)	0.0280 (14)	−0.0012 (12)	0.0035 (13)	0.0010 (11)
C1	0.022 (2)	0.0166 (14)	0.0198 (14)	0.0019 (13)	−0.0002 (13)	−0.0009 (12)
C2	0.017 (2)	0.0188 (14)	0.0233 (14)	0.0010 (13)	0.0038 (13)	0.0013 (12)
C3	0.024 (2)	0.0299 (17)	0.0273 (16)	−0.0027 (15)	0.0085 (14)	−0.0003 (14)
C4	0.022 (2)	0.0262 (16)	0.0253 (15)	0.0031 (14)	0.0095 (14)	−0.0030 (13)
C5	0.021 (2)	0.0202 (14)	0.0236 (14)	0.0020 (14)	0.0031 (14)	−0.0020 (13)
C6	0.025 (3)	0.0163 (14)	0.044 (2)	−0.0037 (15)	0.0156 (17)	−0.0055 (15)

Geometric parameters (Å, º) top

Cd1—O3W	2.218 (3)	O2W—H2WB	0.8324
Cd1—O1	2.265 (3)	O3W—H3WA	0.8463
Cd1—O3ⁱ	2.294 (3)	O3W—H3WB	0.8295
Cd1—N1	2.334 (3)	N1—C1	1.332 (4)
Cd1—O2W	2.397 (4)	N1—C4	1.334 (5)
Cd1—O1W	2.451 (3)	N2—C3	1.317 (5)
O1—C5	1.265 (4)	N2—C2	1.337 (5)
O2—C5	1.245 (4)	C1—C2	1.393 (5)
O3—C6	1.226 (6)	C1—C5	1.522 (5)
O3—Cd1ⁱⁱ	2.294 (3)	C2—C6	1.510 (5)
O4—C6	1.262 (5)	C3—C4	1.384 (5)
O1W—H1WA	0.8214	C3—H3A	0.9300
O1W—H1WB	0.8327	C4—H4A	0.9300
O2W—H2WA	0.8385

O3W—Cd1—O1	167.27 (11)	Cd1—O3W—H3WB	128.5
O3W—Cd1—O3ⁱ	102.02 (13)	H3WA—O3W—H3WB	109.3
O1—Cd1—O3ⁱ	90.61 (11)	C1—N1—C4	118.0 (3)
O3W—Cd1—N1	96.29 (14)	C1—N1—Cd1	113.8 (2)
O1—Cd1—N1	72.59 (11)	C4—N1—Cd1	128.2 (2)
O3ⁱ—Cd1—N1	152.11 (10)	C3—N2—C2	116.5 (3)
O3W—Cd1—O2W	85.67 (14)	N1—C1—C2	119.9 (3)
O1—Cd1—O2W	99.25 (12)	N1—C1—C5	117.4 (3)
O3ⁱ—Cd1—O2W	75.44 (12)	C2—C1—C5	122.6 (3)
N1—Cd1—O2W	85.28 (11)	N2—C2—C1	122.4 (3)
O3W—Cd1—O1W	81.30 (13)	N2—C2—C6	113.7 (3)
O1—Cd1—O1W	90.37 (12)	C1—C2—C6	124.0 (3)
O3ⁱ—Cd1—O1W	123.85 (12)	N2—C3—C4	122.4 (4)
N1—Cd1—O1W	79.40 (11)	N2—C3—H3A	118.8
O2W—Cd1—O1W	158.60 (11)	C4—C3—H3A	118.8
C5—O1—Cd1	118.5 (2)	N1—C4—C3	120.9 (3)
C6—O3—Cd1ⁱⁱ	100.6 (2)	N1—C4—H4A	119.6
Cd1—O1W—H1WA	115.8	C3—C4—H4A	119.6
Cd1—O1W—H1WB	109.4	O2—C5—O1	124.9 (3)
H1WA—O1W—H1WB	114.9	O2—C5—C1	117.5 (3)
Cd1—O2W—H2WA	117.7	O1—C5—C1	117.6 (3)
Cd1—O2W—H2WB	117.3	O3—C6—O4	124.5 (4)
H2WA—O2W—H2WB	108.8	O3—C6—C2	118.4 (3)
Cd1—O3W—H3WA	120.9	O4—C6—C2	116.7 (4)

O3W—Cd1—O1—C5	32.7 (8)	N1—C1—C2—N2	−0.9 (6)
O3ⁱ—Cd1—O1—C5	−154.6 (3)	C5—C1—C2—N2	178.7 (3)
N1—Cd1—O1—C5	2.8 (3)	N1—C1—C2—C6	178.3 (3)
O2W—Cd1—O1—C5	−79.2 (3)	C5—C1—C2—C6	−2.1 (6)
O1W—Cd1—O1—C5	81.6 (3)	C2—N2—C3—C4	0.1 (6)
O3W—Cd1—N1—C1	−174.6 (3)	C1—N1—C4—C3	0.3 (6)
O1—Cd1—N1—C1	−0.9 (2)	Cd1—N1—C4—C3	−178.0 (3)
O3ⁱ—Cd1—N1—C1	54.4 (4)	N2—C3—C4—N1	−0.5 (6)
O2W—Cd1—N1—C1	100.3 (3)	Cd1—O1—C5—O2	177.2 (3)
O1W—Cd1—N1—C1	−94.7 (3)	Cd1—O1—C5—C1	−4.1 (4)
O3W—Cd1—N1—C4	3.8 (4)	N1—C1—C5—O2	−178.0 (3)
O1—Cd1—N1—C4	177.4 (4)	C2—C1—C5—O2	2.4 (5)
O3ⁱ—Cd1—N1—C4	−127.3 (3)	N1—C1—C5—O1	3.3 (5)
O2W—Cd1—N1—C4	−81.3 (3)	C2—C1—C5—O1	−176.4 (4)
O1W—Cd1—N1—C4	83.7 (3)	Cd1ⁱⁱ—O3—C6—O4	−2.1 (5)
C4—N1—C1—C2	0.4 (5)	Cd1ⁱⁱ—O3—C6—C2	171.1 (3)
Cd1—N1—C1—C2	178.9 (3)	N2—C2—C6—O3	−81.2 (5)
C4—N1—C1—C5	−179.2 (3)	C1—C2—C6—O3	99.6 (5)
Cd1—N1—C1—C5	−0.7 (4)	N2—C2—C6—O4	92.5 (4)
C3—N2—C2—C1	0.6 (6)	C1—C2—C6—O4	−86.7 (5)
C3—N2—C2—C6	−178.6 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O4ⁱⁱⁱ	0.82	2.56	3.328 (5)	156
O2W—H2WA···O1^iv	0.84	2.02	2.834 (5)	164
O2W—H2WB···N2^v	0.83	2.24	3.036 (4)	161
O3W—H3WA···O4^v	0.85	1.82	2.656 (6)	169
O3W—H3WB···O4^vi	0.83	2.25	2.865 (4)	132
O3W—H3WB···O2^vi	0.83	2.22	2.935 (4)	144

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

Experimental details

Crystal data
Chemical formula	[Cd(C₆H₂N₂O₄)(H₂O)₃]
M_r	332.54
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	5.586 (6), 15.748 (9), 10.832 (6)
β (°)	93.94 (3)
V (Å³)	950.5 (12)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	2.32
Crystal size (mm)	0.25 × 0.23 × 0.18

Data collection
Diffractometer	Weissenberg IP diffractometer
Absorption correction	Multi-scan (TEXRAY; Molecular Structure Corporation, 1999)
T_min, T_max	0.668, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	5659, 2129, 1699
R_int	0.032
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.030, 0.074, 1.03
No. of reflections	2129
No. of parameters	145
No. of restraints	9
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.82, −0.53

Computer programs: TEXRAY (Molecular Structure Corporation, 1999), TEXSAN (Molecular Structure Corporation, 1999), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEX (McArdle, 1995).

Selected geometric parameters (Å, º) top

Cd1—O3W	2.218 (3)	Cd1—N1	2.334 (3)
Cd1—O1	2.265 (3)	Cd1—O2W	2.397 (4)
Cd1—O3ⁱ	2.294 (3)	Cd1—O1W	2.451 (3)

O3W—Cd1—O1	167.27 (11)	O3ⁱ—Cd1—O2W	75.44 (12)
O3W—Cd1—O3ⁱ	102.02 (13)	N1—Cd1—O2W	85.28 (11)
O1—Cd1—O3ⁱ	90.61 (11)	O3W—Cd1—O1W	81.30 (13)
O3W—Cd1—N1	96.29 (14)	O1—Cd1—O1W	90.37 (12)
O1—Cd1—N1	72.59 (11)	O3ⁱ—Cd1—O1W	123.85 (12)
O3ⁱ—Cd1—N1	152.11 (10)	N1—Cd1—O1W	79.40 (11)
O3W—Cd1—O2W	85.67 (14)	O2W—Cd1—O1W	158.60 (11)
O1—Cd1—O2W	99.25 (12)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O4ⁱⁱ	0.82	2.56	3.328 (5)	156.1
O2W—H2WA···O1ⁱⁱⁱ	0.84	2.02	2.834 (5)	164.1
O2W—H2WB···N2^iv	0.83	2.24	3.036 (4)	161.1
O3W—H3WA···O4^iv	0.85	1.82	2.656 (6)	168.5
O3W—H3WB···O4^v	0.83	2.25	2.865 (4)	131.5
O3W—H3WB···O2^v	0.83	2.22	2.935 (4)	144.0

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

Acknowledgements

The author is grateful for financial support from the Key Science and Technology Project of Fijian Province, China (grant Nos. 2008Y0051 and 2007Y0062).

References

Kitaura, R., Fujimoto, K., Noro, S.-I., Kondo, M. & Kitagawa, S. (2002). Angew. Chem. Int. Ed. 41, 133–135. Web of Science CSD CrossRef CAS Google Scholar
Ma, Y., He, Y.-K. & Han, Z.-B. (2006). Acta Cryst. E62, m2528–m2529. Web of Science CSD CrossRef IUCr Journals Google Scholar
Maji, T. K., Uemura, K., Chang, H. C., Matsuda, R. & Kitagawa, S. (2004). Angew. Chem. Int. Ed. 43, 3269–3272. Web of Science CSD CrossRef CAS Google Scholar
Mao, L., Rettig, S. J., Thompson, R. C., Trotter, J. & Xia, S. H. (1996). Can. J. Chem. 74, 2413–2423. CrossRef CAS Web of Science Google Scholar
McArdle, P. (1995). J. Appl. Cryst. 28, 65. CrossRef IUCr Journals Google Scholar
Molecular Structure Corporation (1999). TEXRAY and TEXSAN. MSC, The Woodlands, Texas, USA. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Yin, H. & Liu, S. X. (2007). Polyhedron, 26, 3103–3111. Web of Science CSD CrossRef CAS Google Scholar
Yin, H. & Liu, S. X. (2009). Chin. J. Inorg. Chem. 25, 893–899. CAS Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.