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Volume 64 
Part 11 
Pages m1471-m1472  
November 2008  

Received 24 June 2008
Accepted 23 October 2008
Online 31 October 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.039
wR = 0.108
Data-to-parameter ratio = 16.6
Details
Open access

[mu]-[alpha]-Methylglutarato-bis{aqua[bis(2-pyridylcarbonyl)aminato]copper(II)} trihydrate

aState Key Laboratory Base of Novel Functional Materials and Preparation Science, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, People's Republic of China
Correspondence e-mail: xiehongzhen@nbu.edu.cn

In the title compound, [Cu2(C12H8N3O2)2(C6H8O4)(H2O)2]·3H2O, both crystallographically independent Cu atoms are in similar distorted square-pyramidal coordination environments. The dinuclear complex molecules are assembled into one-dimensional supramolecular chains extending in the [100] direction by hydrogen bonds. Interchain hydrogen bonds further link these chains into layers perpendicular to [001].

Related literature

For general background, see: Kajiwara et al. (2002[Kajiwara, T., Sensui, R., Noguchi, T., Kamiyama, A. & Ito, T. (2002). Inorg. Chim. Acta, 337, 299-307.]); Kamiyama et al. (2000[Kamiyama, A., Noguchi, T., Kajiwara, T. & Ito, T. (2000). Angew. Chem. Int. Ed. 39, 3130-3132.]); Kooijman et al. (2006[Kooijman, H., Tanase, S., Bouwman, E., Reedijk, J. & Spek, A. L. (2006). Acta Cryst. C62, m510-m512.]); Lescouezec et al. (2005[Lescouezec, R., Toma, L. M., Vaissermann, J., Verdaguer, M., Delgado, F. S., Ruiz-Perez, C., Lloret, F. & Julve, M. (2005). Coord. Chem. Rev. 249, 2691-2729.]); Ohkoshi & Hashimoto (1999[Ohkoshi, S. & Hashimoto, K. (1999). J. Am. Chem. Soc. 121, 10591-10597.]); Ohkoshi et al. (1998[Ohkoshi, S., Fujishiman, A. & Hashimoto, K. (1998). J. Am. Chem. Soc. 120, 5349-5350.]); Smolin & Rapoport (1959[Smolin, E. M. & Rapoport, L. (1959). s-Triazines and Derivatives, p. 163. New York: Interscience.]); Toma et al. (2005[Toma, L. M., Lescouezec, R., Cangussu, D., Llusar, R., Mata, J., Spey, S., Thomas, J. A., Lloret, F. & Julve, M. (2005). Inorg. Chem. Commun. 8, 382-385.]); Yamamoto et al. (1998[Yamamoto, H. M., Yamaura, J. & Kato, R. (1998). J. Am. Chem. Soc. 120, 5905-5913.]); Zheng et al. (2006[Zheng, Y. Q., Xu, W., Lin, F. & Fang, G. S. (2006). J. Coord. Chem. 59, 1825-1834.]). For related structures, see: Wei et al. (2002[Wei, D. Y., Kong, Z. P. & Zheng, Y. Q. (2002). Polyhedron, 21, 1621-1628.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C12H8N3O2)2(C6H8O4)(H2O)2]·3H2O

  • Mr = 813.71

  • Orthorhombic, P b c n

  • a = 7.2712 (15) Å

  • b = 26.910 (5) Å

  • c = 34.207 (7) Å

  • V = 6693 (2) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 1.35 mm-1

  • T = 293 (2) K

  • 0.31 × 0.28 × 0.18 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.502, Tmax = 0.547 (expected range = 0.720-0.785)

  • 55287 measured reflections

  • 7670 independent reflections

  • 5714 reflections with I > 2[sigma](I)

  • Rint = 0.045

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.108

  • S = 1.05

  • 7670 reflections

  • 461 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.48 e Å-3

  • [Delta][rho]min = -0.26 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3A...O5i 0.89 2.06 2.835 (4) 144
O3-H3B...O12i 0.82 1.94 2.740 (4) 164
O6-H6A...O8i 0.80 2.04 2.819 (4) 165
O6-H6B...O1ii 0.82 2.00 2.822 (4) 179
O11-H11A...O13 0.962 1.94 2.808 (4) 150
O11-H11B...O2iii 0.910 2.17 2.968 (4) 146
O11-H11B...O1iii 0.910 2.41 3.129 (4) 136
O12-H12A...O10iv 0.88 2.09 2.907 (4) 154
O12-H12B...O9v 0.88 2.10 2.935 (4) 159
O12-H12B...O10v 0.88 2.53 3.108 (4) 124
O13-H13B...O7vi 0.820 2.13 2.933 (4) 168
Symmetry codes: (i) x+1, y, z; (ii) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, z]; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, z]; (iv) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (v) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]; (vi) x-1, y, z.

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002[Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEPII (Johnson, 1976[Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CS2084 ).


Acknowledgements

The project was supported by the Expert Project of Key Basic Research of the Ministry of Science and Technology of China (grant No. 2003CCA00800), the Ningbo Municipal Natural Science Foundation (grant No. 2006 A610061) and the Ningbo University Foundation (008-460452 and 008-460453), and sponsored by the K. C. Wong Magna Fund of Ningbo University.

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
Kajiwara, T., Sensui, R., Noguchi, T., Kamiyama, A. & Ito, T. (2002). Inorg. Chim. Acta, 337, 299-307.  [ISI] [CSD] [CrossRef] [ChemPort]
Kamiyama, A., Noguchi, T., Kajiwara, T. & Ito, T. (2000). Angew. Chem. Int. Ed. 39, 3130-3132.  [CrossRef] [ChemPort]
Kooijman, H., Tanase, S., Bouwman, E., Reedijk, J. & Spek, A. L. (2006). Acta Cryst. C62, m510-m512.  [CrossRef] [details]
Lescouezec, R., Toma, L. M., Vaissermann, J., Verdaguer, M., Delgado, F. S., Ruiz-Perez, C., Lloret, F. & Julve, M. (2005). Coord. Chem. Rev. 249, 2691-2729.  [CrossRef] [ChemPort]
Ohkoshi, S., Fujishiman, A. & Hashimoto, K. (1998). J. Am. Chem. Soc. 120, 5349-5350.  [CrossRef] [ChemPort]
Ohkoshi, S. & Hashimoto, K. (1999). J. Am. Chem. Soc. 121, 10591-10597.  [CrossRef] [ChemPort]
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Smolin, E. M. & Rapoport, L. (1959). s-Triazines and Derivatives, p. 163. New York: Interscience.
Toma, L. M., Lescouezec, R., Cangussu, D., Llusar, R., Mata, J., Spey, S., Thomas, J. A., Lloret, F. & Julve, M. (2005). Inorg. Chem. Commun. 8, 382-385.  [CrossRef] [ChemPort]
Wei, D. Y., Kong, Z. P. & Zheng, Y. Q. (2002). Polyhedron, 21, 1621-1628.  [CrossRef] [ChemPort]
Yamamoto, H. M., Yamaura, J. & Kato, R. (1998). J. Am. Chem. Soc. 120, 5905-5913.  [CrossRef] [ChemPort]
Zheng, Y. Q., Xu, W., Lin, F. & Fang, G. S. (2006). J. Coord. Chem. 59, 1825-1834.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2008). E64, m1471-m1472   [ doi:10.1107/S1600536808034570 ]

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