[Journal logo]

Volume 66 
Part 10 
Page m1216  
October 2010  

Received 16 August 2010
Accepted 31 August 2010
Online 8 September 2010

[lh5123sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.003 Å
R = 0.028
wR = 0.080
Data-to-parameter ratio = 16.0
Details
Open access

catena-Poly[[(1,10-phenanthroline-[kappa]2N,N')copper(I)]-[mu]-thiocyanato-[kappa]2N:S]

Hong Lia* and Shi Guo Zhanga

aBinzhou Key Laboratory of Material Chemistry, Department of Chemistry and Chemical Engineering, Binzhou University, Binzhou 256603, People's Republic of China
Correspondence e-mail: honglizhang1968@yahoo.cn

In the title complex, [Cu(NCS)(C12H8N2)]n, the CuI ion is in a distorted tetrahedral CuN3S coordination geometry. The thiocyanate ligand acts as bridging ligand, forming chains along [100]. A crystallographic mirror plane runs through the CuI ion, the thiocyanate ligand and the middle of the phenanthroline ligand.

Related literature

For related structures, see: Shi et al. (2006[Shi, J. M., Sun, Y. M., Liu, Z., Liu, L. D., Shi, W. & Cheng, P. (2006). Dalton Trans. pp. 376-380.]); Tadashi et al. (1990[Tadashi, T., Naofumi, W., Michio, N., Yoneichiro, M., Mitsuo, M., Shigeru, O. & Yoshihiko, S. (1990). Bull. Chem. Soc. Jpn, 63, 364-369.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu(NCS)(C12H8N2)]

  • Mr = 301.82

  • Orthorhombic, P n m a

  • a = 7.9744 (15) Å

  • b = 11.948 (2) Å

  • c = 12.956 (2) Å

  • V = 1234.4 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.92 mm-1

  • T = 298 K

  • 0.23 × 0.15 × 0.15 mm
Data collection

  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.667, Tmax = 0.762

  • 6226 measured reflections

  • 1421 independent reflections

  • 1146 reflections with I > 2[sigma](I)

  • Rint = 0.028
Refinement

  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.080

  • S = 1.03

  • 1421 reflections

  • 89 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.29 e Å-3

  • [Delta][rho]min = -0.28 e Å-3

Data collection: SMART (Bruker, 1997[Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1997[Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: LH5123 ).

Acknowledgements

The authors thank the Natural Science Foundation of Shandong Province of China (grant No. ZR2009BL002).

References

Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shi, J. M., Sun, Y. M., Liu, Z., Liu, L. D., Shi, W. & Cheng, P. (2006). Dalton Trans. pp. 376-380.  [CSD] [CrossRef] [PubMed]
Tadashi, T., Naofumi, W., Michio, N., Yoneichiro, M., Mitsuo, M., Shigeru, O. & Yoshihiko, S. (1990). Bull. Chem. Soc. Jpn, 63, 364-369.

Acta Cryst (2010). E66, m1216  [ doi:10.1107/S1600536810035002 ]

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