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Volume 69 
Part 11 
Page m620  
November 2013  

Received 30 September 2013
Accepted 17 October 2013
Online 26 October 2013

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.004 Å
R = 0.047
wR = 0.103
Data-to-parameter ratio = 15.0
Details
Open access

Redetermination of bis­(acetyl­acetonato-[kappa]2O,O')(1,10-phenanthroline-[kappa]2N,N')manganese(II)

aInstitut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany
Correspondence e-mail: ssuckert@ac.uni-kiel.de

In the crystal structure of the title compound, [Mn(C5H7O2)2(C12H8N2)], the Mn2+ cation is coordinated by one bidentate 1,10-phenanthroline ligand and two acetyl­acetonate anions within a slightly distorted N2O4 octa­hedron. The asymmetric unit consists of one Mn2+ cation situated on a twofold rotation axis, one half of a 1,10-phenanthroline ligand and one acetyl­acetonate anion. In comparison with the previous determination based on visually estimated intensities recorded on precession photographs, the current redetermination with image-plate data reveals bond lengths and angles with much higher precision.

Related literature

For the previous determination of the crystal structure, see: Stephens (1977[Stephens, F. S. (1977). Acta Cryst. B33, 3492-3495.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(C5H7O2)2(C12H8N2)]

  • Mr = 433.36

  • Orthorhombic, P b c n

  • a = 15.8353 (7) Å

  • b = 10.2260 (4) Å

  • c = 12.6532 (4) Å

  • V = 2048.96 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.68 mm-1

  • T = 200 K

  • 0.31 × 0.19 × 0.08 mm

Data collection
  • Stoe IPDS-2 diffractometer

  • 14233 measured reflections

  • 2007 independent reflections

  • 1742 reflections with I > 2[sigma](I)

  • Rint = 0.086

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.103

  • S = 1.16

  • 2007 reflections

  • 134 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.26 e Å-3

  • [Delta][rho]min = -0.26 e Å-3

Data collection: X-AREA (Stoe & Cie, 2008[Stoe & Cie (2008). X-AREA. Stoe & Cie, Darmstadt, Germany.]); cell refinement: X-AREA; data reduction: X-AREA); 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 2011[Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2774 ).


Acknowledgements

We gratefully acknowledge financial support by the DFG (project No. NA 720/3-1) and the State of Schleswig-Holstein. We thank Professor Dr Wolfgang Bensch for access to his experimental facilities.

References

Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Stephens, F. S. (1977). Acta Cryst. B33, 3492-3495.  [CrossRef] [IUCr Journals]
Stoe & Cie (2008). X-AREA. Stoe & Cie, Darmstadt, Germany.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m620  [ doi:10.1107/S1600536813028614 ]

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