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Volume 64 
Part 7 
Pages m851-m852  
July 2008  

Received 7 May 2008
Accepted 25 May 2008
Online 7 June 2008

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.007 Å
R = 0.045
wR = 0.087
Data-to-parameter ratio = 16.7
Details
Open access

Bis(5-chlorosalicylato-[kappa]O)bis(1,10-phenanthroline-[kappa]2N,N')cadmium(II)

Decai Wen,a* Jing Xiea and Xiurong Jianga

aDepartment of Chemistry, Longyan University, Longyan, Fujian 364000, People's Republic of China
Correspondence e-mail: wendecai1227@yahoo.com.cn

In the title complex, [Cd(C7H4ClO3)2(C12H8N2)2], the Cd atom is coordinated by two 5-chlorosalicylate ligands and two 1,10-phenanthroline ligands, displaying a distorted octahedral coordination geometry. The crystal structure is stabilized by O-H...O and C-H...O hydrogen bonds and [pi]-[pi] interactions between the 1,10-phenanthroline ligands and 5-chlorosalicylate ligands, with a centroid-centroid distance between neighbouring aromatic rings of 3.730 (1) Å.

Related literature

For related literature, see: Lemoine et al. (2004[Lemoine, P., Viossat, B., Dung, N. H., Tomas, A., Morgant, G., Greenaway, F. T. & Sorenson, J. R. J. (2004). J. Inorg. Biochem. 98, 1734-1749.]); Melnik et al. (2001[Melnik, M., Koman, M., Moncol, J. & Glowiak, T. (2001). J. Coord. Chem. 53, 173-177.]); Wen, Liu & Ribas (2007[Wen, D.-C., Liu, S.-X. & Ribas, J. (2007). Polyhedron, 26, 3849-3856.]); Wen & Ying (2007[Wen, D. & Ying, S. (2007). Acta Cryst. E63, m2407-m2408.]); Wen, Ta et al. (2007[Wen, D., Ta, H., Zhong, C., Xie, T. & Wu, L. (2007). Acta Cryst. E63, m2446-m2447.]); Yin et al. (2004[Yin, M.-C., Yuan, L.-J., Ai, C.-C., Wang, C.-W., Yuan, E.-T. & Sun, J.-T. (2004). Polyhedron, 23, 529-536.]); Zhu et al. (2003[Zhu, L.-G., Kitagawa, S., Miyasaka, H. & Chang, H.-C. (2003). Inorg. Chim. Acta, 355, 121-126.]).

[Scheme 1]

Experimental

Crystal data

  • [Cd(C7H4ClO3)2(C12H8N2)2]

  • Mr = 815.91

  • Orthorhombic, P 21 21 21

  • a = 10.812 (3) Å

  • b = 16.495 (4) Å

  • c = 18.862 (5) Å

  • V = 3363.9 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.86 mm-1

  • T = 293 (2) K

  • 0.25 × 0.23 × 0.22 mm
Data collection

  • Rigaku R-AXIS RAPID IP diffractometer

  • Absorption correction: none

  • 32955 measured reflections

  • 7696 independent reflections

  • 5812 reflections with I > 2[sigma](I)

  • Rint = 0.086
Refinement

  • R[F2 > 2[sigma](F2)] = 0.045

  • wR(F2) = 0.086

  • S = 1.01

  • 7696 reflections

  • 461 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.64 e Å-3

  • [Delta][rho]min = -0.55 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), with 3402 Friedel pairs

  • Flack parameter: 0.00 (19)

Table 1
Selected geometric parameters (Å, °)

Cd1-O4 2.261 (3)
Cd1-O1 2.336 (4)
Cd1-N4 2.400 (3)
Cd1-N2 2.400 (4)
Cd1-N1 2.422 (3)
Cd1-N3 2.423 (3)
O4-Cd1-O1 82.14 (12)
O4-Cd1-N4 125.46 (12)
O1-Cd1-N4 83.28 (13)
O4-Cd1-N2 86.00 (13)
O1-Cd1-N2 156.59 (12)
N4-Cd1-N2 87.33 (12)
O4-Cd1-N1 84.29 (12)
O1-Cd1-N1 129.12 (13)
N4-Cd1-N1 141.39 (12)
N2-Cd1-N1 69.12 (12)
O4-Cd1-N3 164.68 (11)
O1-Cd1-N3 97.76 (14)
N4-Cd1-N3 69.51 (11)
N2-Cd1-N3 98.95 (13)
N1-Cd1-N3 83.98 (12)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3...O2 0.82 1.76 2.504 (6) 149
O6-H6...O5 0.82 1.83 2.553 (6) 147
C15-H15A...O2 0.93 2.45 3.181 (6) 136
C36-H36A...O5 0.93 2.34 3.134 (6) 143
C24-H24A...O3i 0.93 2.42 3.185 (6) 140
Symmetry code: (i) [-x+1, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; 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: SHELXTL-Plus (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WN2261 ).

Acknowledgements

This work was supported financially by the Education Department of Fujian Province (grant No. JA02261) and Longyan Science and Technology Bureau (grant No. 2003LY03).

References

Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Lemoine, P., Viossat, B., Dung, N. H., Tomas, A., Morgant, G., Greenaway, F. T. & Sorenson, J. R. J. (2004). J. Inorg. Biochem. 98, 1734-1749.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Melnik, M., Koman, M., Moncol, J. & Glowiak, T. (2001). J. Coord. Chem. 53, 173-177.  [CrossRef] [ChemPort]
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wen, D.-C., Liu, S.-X. & Ribas, J. (2007). Polyhedron, 26, 3849-3856.  [CrossRef] [ChemPort]
Wen, D., Ta, H., Zhong, C., Xie, T. & Wu, L. (2007). Acta Cryst. E63, m2446-m2447.  [CSD] [CrossRef] [details]
Wen, D. & Ying, S. (2007). Acta Cryst. E63, m2407-m2408.  [CSD] [CrossRef] [details]
Yin, M.-C., Yuan, L.-J., Ai, C.-C., Wang, C.-W., Yuan, E.-T. & Sun, J.-T. (2004). Polyhedron, 23, 529-536.  [ISI] [CSD] [CrossRef] [ChemPort]
Zhu, L.-G., Kitagawa, S., Miyasaka, H. & Chang, H.-C. (2003). Inorg. Chim. Acta, 355, 121-126.  [CrossRef] [ChemPort]

Acta Cryst (2008). E64, m851-m852   [ doi:10.1107/S1600536808015687 ]

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