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Volume 68 
Part 1 
Page m25  
January 2012  

Received 17 November 2011
Accepted 3 December 2011
Online 10 December 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.006 Å
R = 0.050
wR = 0.143
Data-to-parameter ratio = 12.9
Details
Open access

trans-Tetraaquabis[bis(pyridin-3-yl)methanone-[kappa]N]manganese(II) bis(perchlorate)

aDepartment of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China
Correspondence e-mail: binliu92@yahoo.cn

In the title complex, [Mn(C11H8N2O)2(H2O)4](ClO4)2, the Mn2+ ion is located on an inversion center with the slightly distorted N2O4 octahedral coordination sphere comprising N-atom donors from two monodentate trans-related bis(pyridin-3-yl)methanone ligands and four water ligands. The two perchlorate anions are linked to the mononuclear complex molecule through water O-H...O hydrogen bonds while inter-complex water O-H...N(pyridine) interactions form an infinite chain structure extending along the b axis. The perchlorate anions also function as inter-unit links through water O-H...O hydrogen bonds which, together with water O-H...O(carbonyl) interactions, give a three-dimensional framework structure.

Related literature

For background to coordination chemistry based on pyridylmethanone derivatives, see: Huang et al. (2003[Huang, W. L., Lee, J. R., Shi, S. Y. & Tsai, C. Y. (2003). Transition Met. Chem. 28, 381-388.]); Chen et al. (2005[Chen, X. D., Guo, J. H., Du, M. & Mak, T. C. W. (2005). Inorg. Chem. Commun. 8, 766-768.]); For transition metal complexes of bis(pyridin-3-yl)methanone, see: Zhang (2011[Zhang, F. (2011). Acta Cryst. E67, m1764.]); Chen & Mak (2005[Chen, X. D. & Mak, T. C. W. (2005). J. Mol. Struct. 743, 1-6.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(C11H8N2O)2(H2O)4](ClO4)2

  • Mr = 694.29

  • Monoclinic, P 21 /n

  • a = 8.410 (2) Å

  • b = 11.962 (3) Å

  • c = 14.386 (4) Å

  • [beta] = 95.476 (5)°

  • V = 1440.6 (6) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.72 mm-1

  • T = 296 K

  • 0.45 × 0.32 × 0.25 mm

Data collection
  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.]) Tmin = 0.572, Tmax = 1.000

  • 7576 measured reflections

  • 2529 independent reflections

  • 1853 reflections with I > 2[sigma](I)

  • Rint = 0.076

Refinement
  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.143

  • S = 1.04

  • 2529 reflections

  • 196 parameters

  • 4 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.48 e Å-3

  • [Delta][rho]min = -0.51 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...N1i 0.90 1.82 2.704 (4) 169
O2W-H2WA...O5ii 0.89 2.01 2.889 (5) 171
O2W-H2WB...O4 0.89 2.01 2.876 (4) 162
O1W-H1WB...O1iii 0.94 2.19 2.782 (3) 120
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) [x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.]); data reduction: SAINT; 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: SHELXTL and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2167 ).


Acknowledgements

The authors are grateful for financial support from the Beijing Municipal Education Commission.

References

Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.
Chen, X. D., Guo, J. H., Du, M. & Mak, T. C. W. (2005). Inorg. Chem. Commun. 8, 766-768.  [ISI] [CSD] [CrossRef] [ChemPort]
Chen, X. D. & Mak, T. C. W. (2005). J. Mol. Struct. 743, 1-6.  [ISI] [CSD] [CrossRef] [ChemPort]
Huang, W. L., Lee, J. R., Shi, S. Y. & Tsai, C. Y. (2003). Transition Met. Chem. 28, 381-388.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Zhang, F. (2011). Acta Cryst. E67, m1764.  [CrossRef] [details]


Acta Cryst (2012). E68, m25  [ doi:10.1107/S1600536811052184 ]

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