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Volume 69 
Part 12 
Pages m645-m646  
December 2013  

Received 29 October 2013
Accepted 4 November 2013
Online 9 November 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.004 Å
R = 0.029
wR = 0.079
Data-to-parameter ratio = 13.5
Details
Open access

Bis(5-amino-1H-tetra­zole-[kappa]N4)di­aqua­(oxalato-[kappa]2O1,O2)cadmium

aJinshan College of Fujian Agriculture and Forestry University, Fuzhou, Fujian 350002, People's Republic of China, and bCollege of Life Science, Fujian Agriculture and Forestry University, Fuzhou, Fujian 350002, People's Republic of China
Correspondence e-mail: lqfafu@163.com

In the monomeric title complex, [Cd(C2O4)(CH3N5)2(H2O)2], the CdII ion exhibits a distorted octa­hedral coordination geometry, with the equatorial plane defined by two O atoms from an oxalate ligand and two N atoms from two 5-amino-1H-tetra­zole ligands; the axial sites are occupied by two water mol­ecules, with longer Cd-O bond lengths. An intra­molecular N-H...O hydrogen bond occurs. In the crystal, N-H...O as well as O-H...O and O-H...N hydrogen bonds (some of which are bifurcated) link the complex mol­ecules into a three-dimensional network.

Related literature

For background to five-membered heterocycle ligands in compounds with metal-organic framework structures, see: Wang et al. (2010[Wang, T.-W., Liu, D.-S., Huang, C.-C., Sui, Y., Huang, X.-H., Chen, J.-Z. & You, X.-Z. (2010). Cryst. Growth Des. 10, 3429-3435.]); Yu et al. (2010[Yu, Q., Zeng, Y.-F., Zhao, J.-P., Yang, Q. & Bu, X.-H. (2010). Cryst. Growth Des. 10, 1878-1884.]); He et al. (2006[He, X., Lu, C.-Z. & Yuan, D.-Q. (2006). Inorg. Chem. 45, 5760-5766.]); Wei et al. (2010[Wei, G., Shen, Y.-F., Li, Y.-R. & Huang, X.-C. (2010). Inorg. Chem. 49, 9191-9199.]). For related complexes with mixed ligands, see: Zhai et al. (2007[Zhai, Q.-G., Lu, C.-Z., Wu, X.-Y. & Batten, S. R. (2007). Cryst. Growth Des. 7, 2332-2342.]); García-Couceiro et al. (2005[García-Couceiro, U., Olea, D., Castillo, O., Luque, A., Román, P., de Pablo, P. J., Gómez-Herrero, J. & Zamora, F. (2005). Inorg. Chem. 44, 8343-8348.]); Prasad et al. (2002[Prasad, P. A., Neeraj, S., Vaidhyanathan, R. & Natarajan, S. (2002). J. Solid State Chem. 166, 128-141.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(C2O4)(CH3N5)2(H2O)2]

  • Mr = 406.62

  • Orthorhombic, P b c a

  • a = 12.537 (3) Å

  • b = 6.6745 (13) Å

  • c = 28.975 (6) Å

  • V = 2424.6 (8) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 1.86 mm-1

  • T = 298 K

  • 0.28 × 0.16 × 0.12 mm

Data collection
  • Rigaku Saturn 724 CCD area-detector diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2002[Rigaku (2002). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.766, Tmax = 0.862

  • 17764 measured reflections

  • 2785 independent reflections

  • 2754 reflections with I > 2[sigma](I)

  • Rint = 0.040

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.079

  • S = 1.07

  • 2785 reflections

  • 207 parameters

  • 6 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.59 e Å-3

  • [Delta][rho]min = -0.45 e Å-3

Table 1
Selected bond lengths (Å)

Cd1-N5 2.244 (2)
Cd1-N7 2.256 (2)
Cd1-O2 2.268 (2)
Cd1-O1 2.323 (2)
Cd1-O5 2.331 (2)
Cd1-O6 2.489 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H2...O5i 0.86 2.20 3.027 (4) 161
N1-H1...O2 0.86 2.20 2.985 (3) 151
N2-H3...O4ii 0.86 1.86 2.704 (3) 167
N10-H4...O3iii 0.86 1.79 2.647 (3) 172
N6-H6...O1iii 0.86 2.21 3.009 (4) 154
O5-H5A...N4iv 0.84 2.03 2.807 (3) 153 (4)
O5-H5A...N3iv 0.84 (2) 2.62 (4) 3.183 (3) 126 (4)
O5-H5B...O6v 0.84 (4) 1.97 (3) 2.792 (3) 167 (4)
O6-H6A...O3vi 0.84 (3) 2.32 (3) 2.853 (3) 122 (4)
O6-H6A...O4vi 0.84 (3) 1.97 (3) 2.779 (3) 161 (3)
O6-H6B...N6 0.84 (1) 2.58 (3) 3.227 (4) 135 (4)
Symmetry codes: (i) -x, -y, -z+1; (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]; (iii) [-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, z]; (v) x, y-1, z; (vi) [-x-{\script{1\over 2}}, y+{\script{1\over 2}}, z].

Data collection: CrystalClear (Rigaku, 2002[Rigaku (2002). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BH2488 ).


Acknowledgements

The authors are grateful for financial support from the Natural Science Fund for Young Scholars of Fujian Province (grant No. 2011 J05018).

References

García-Couceiro, U., Olea, D., Castillo, O., Luque, A., Román, P., de Pablo, P. J., Gómez-Herrero, J. & Zamora, F. (2005). Inorg. Chem. 44, 8343-8348.  [Web of Science] [PubMed]
He, X., Lu, C.-Z. & Yuan, D.-Q. (2006). Inorg. Chem. 45, 5760-5766.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Prasad, P. A., Neeraj, S., Vaidhyanathan, R. & Natarajan, S. (2002). J. Solid State Chem. 166, 128-141.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Rigaku (2002). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Wang, T.-W., Liu, D.-S., Huang, C.-C., Sui, Y., Huang, X.-H., Chen, J.-Z. & You, X.-Z. (2010). Cryst. Growth Des. 10, 3429-3435.  [CSD] [CrossRef] [ChemPort]
Wei, G., Shen, Y.-F., Li, Y.-R. & Huang, X.-C. (2010). Inorg. Chem. 49, 9191-9199.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
Yu, Q., Zeng, Y.-F., Zhao, J.-P., Yang, Q. & Bu, X.-H. (2010). Cryst. Growth Des. 10, 1878-1884.  [CSD] [CrossRef] [ChemPort]
Zhai, Q.-G., Lu, C.-Z., Wu, X.-Y. & Batten, S. R. (2007). Cryst. Growth Des. 7, 2332-2342.  [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m645-m646   [ doi:10.1107/S1600536813030158 ]

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