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Volume 67 
Part 7 
Page m893  
July 2011  

Received 17 May 2011
Accepted 29 May 2011
Online 11 June 2011

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Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.011 Å
R = 0.037
wR = 0.111
Data-to-parameter ratio = 12.7
Details
Open access

catena-Poly[[[aqua(formato-[kappa]O)(1,10-phenanthroline-[kappa]2N,N')manganese(II)]-[mu]-formato-[kappa]2O:O'] monohydrate]

Wei Xua*

aCenter of Applied Solid State Chemistry Research, Ningbo University, Ningbo 315211, People's Republic of China
Correspondence e-mail: xuwei@nbu.edu.cn

The title compound, {[Mn(HCOO)2(C12H8N2)(H2O)]·H2O}n, consists of polymeric chains of the complex [Mn(HCOO)2(phen)(H2O)][infinity] (phen is 1,10-phenanthroline) with solvent water molecules. The chains contain six-coordinate MnII ions bridged by formate anions. They are further extended into a three-dimensional network via O-H...O hydrogen-bonding interactions and interchain [pi]-[pi] stacking interactions, with a centroid-centroid distance of 3.679 (4) Å.

Related literature

For the design and synthesis of coordination polymer complexes and their potential applications, see: Robin & Fromm (2006[Robin, A. Y. & Fromm, K. M. (2006). Coord. Chem. Rev. 250, 2127-2157.]); Farrusseng et al. (2008[Farrusseng, D., Aguado, S. & Pinel, C. (2008). Angew. Chem. Int. Ed. 48, 7502-7503.]); Chen et al. (2010[Chen, Z. X., Xiang, S. C., Arman, H. D., Li, P., Tidrow, S., Zhao, D. Y. & Chen, B. L. (2010). Eur. J. Inorg. Chem. pp. 3745-3749.]). For the formate anion as a ligand, see: Yuan et al. (2008[Yuan, P. L., Li, P. Z., Sun, Q. F., Liu, L. X., Gao, K., Liu, W. S., Lu, X. M. & Yu, S. Y. (2008). J. Mol. Struct. 890, 112-115]); Hagen et al. (2009[Hagen, K. S., Naik, S. G., Huynh, B. H., Masello, A. & Christou, G. (2009). J. Am. Chem. Soc. 131, 7516-7517.]); Hu et al. (2009[Hu, K. L., Kurmoo, M., Wang, Z. M. & Gao, S. (2009). Chem. Eur. J. 15, 12050-12064.]); Paredes-Gaecía (2009[Paredes-Gaecía, V. (2009). Inorg. Chem. 48, 4737-4742.]). For a related structure, see: Janiak (2000[Janiak, C. (2000). J. Chem. Soc. Dalton Trans. pp. 3885-3896.]).

[Scheme 1]

Experimental

Crystal data

  • [Mn(HCO2)2(C12H8N2)(H2O)]·H2O

  • Mr = 361.21

  • Orthorhombic, P n a 21

  • a = 19.260 (4) Å

  • b = 12.161 (2) Å

  • c = 6.5493 (13) Å

  • V = 1534.0 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.89 mm-1

  • T = 295 K

  • 0.31 × 0.12 × 0.09 mm
Data collection

  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.664, Tmax = 0.791

  • 11493 measured reflections

  • 2644 independent reflections

  • 1921 reflections with I > 2[sigma](I)

  • Rint = 0.047
Refinement

  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.111

  • S = 1.20

  • 2644 reflections

  • 209 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.70 e Å-3

  • [Delta][rho]min = -0.93 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1165 Friedel pairs

  • Flack parameter: 0.01 (4)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5B...O2 0.83 1.96 2.713 (5) 150
O5-H5C...O6 0.85 1.76 2.601 (6) 177
O6-H6B...O4i 0.83 1.88 2.693 (8) 166
O6-H6C...O4ii 0.83 2.13 2.864 (9) 145
Symmetry codes: (i) [-x+1, -y, z-{\script{1\over 2}}]; (ii) x, y, z-1.

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004[Rigaku/MSC (2004). 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: SHELXTL (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: FJ2422 ).

Acknowledgements

This project was supported by the Scientific Research Fund of the Zhejiang Provincial Education Department (grant No. Y201017782) and the Scientific Research Fund of Ningbo University (grant No. XKL09078). Thanks are also extended to the K. C. Wong Magna Fund of Ningbo University.

References

Chen, Z. X., Xiang, S. C., Arman, H. D., Li, P., Tidrow, S., Zhao, D. Y. & Chen, B. L. (2010). Eur. J. Inorg. Chem. pp. 3745-3749.
Farrusseng, D., Aguado, S. & Pinel, C. (2008). Angew. Chem. Int. Ed. 48, 7502-7503.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Hagen, K. S., Naik, S. G., Huynh, B. H., Masello, A. & Christou, G. (2009). J. Am. Chem. Soc. 131, 7516-7517.  [ISI] [PubMed] [ChemPort]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Hu, K. L., Kurmoo, M., Wang, Z. M. & Gao, S. (2009). Chem. Eur. J. 15, 12050-12064.  [ChemPort]
Janiak, C. (2000). J. Chem. Soc. Dalton Trans. pp. 3885-3896.  [CrossRef]
Paredes-Gaecía, V. (2009). Inorg. Chem. 48, 4737-4742.  [ISI] [PubMed]
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Robin, A. Y. & Fromm, K. M. (2006). Coord. Chem. Rev. 250, 2127-2157.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Yuan, P. L., Li, P. Z., Sun, Q. F., Liu, L. X., Gao, K., Liu, W. S., Lu, X. M. & Yu, S. Y. (2008). J. Mol. Struct. 890, 112-115  [ChemPort]

Acta Cryst (2011). E67, m893  [ doi:10.1107/S1600536811020575 ]

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