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Volume 68 
Part 12 
Pages m1453-m1454  
December 2012  

Received 16 October 2012
Accepted 29 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 123 K
Mean [sigma](C-C) = 0.005 Å
R = 0.021
wR = 0.047
Data-to-parameter ratio = 17.7
Details
Open access

Poly[[[mu]-N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylpropane-1,3-diaminium-[kappa]2O:O']tetra-[mu]-bromido-dibromidodimanganese(II)]

aUniversity of Jyväskylä, Department of Chemistry, PO Box 35, FI-40014 JY, Finland
Correspondence e-mail: manu.lahtinen@jyu.fi

The asymmetric unit of the title three-dimensional coordination polymer, [Mn2Br6(C11H28N2O2)]n, consists of one MnII cation, half of a dicationic N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylpropane-1,3-diaminium ligand (L) (the other half being generated by a twofold rotation axis), and three bromide ions. The MnII cation is coordinated by a single L ligand via the hydroxy O atom and by five bromide ions, resulting in a distorted octahedral MnBr5O coordination geometry. Four of the bromide ions are bridging to two adjacent MnII atoms, thereby forming polymeric chains along the a and b axes. The L units act as links between neighbouring Mn-([mu]-Br)2-Mn chains, also forming a polymeric continuum along the c axis, which completes the formation of a three-dimensional network. Classical O-H...Br hydrogen bonds are present. The distance between adjacent MnII atoms is 4.022 (1) Å.

Related literature

For related structures of MII transition metal halide one-dimensional coordination polymers, see: Han et al. (2012[Han, S., Liu, X.-Y., Cai, Z.-F. Z.-P., Yin, W.-T., Xie, X.-D., Zhou, J.-R., Yang, L.-M. & Ni, C.-L. (2012). Inorg. Chem. Commun. 24, 91-94.]); Englert & Schiffers (2006[Englert, U. & Schiffers, S. (2006). Acta Cryst. E62, m295-m296.]). For two-dimensional networks, see: Hu & Englert (2006[Hu, C. & Englert, U. (2006). Angew. Chem. Int. Ed. Engl. 45, 3457-3459.]); Turgunov et al. (2011[Turgunov, K. K., Wang, Y., Englert, U. & Shakhidoyatov, K. M. (2011). Acta Cryst. E67, m953-m954.]). For properties of metal halides, see: Hitchcock et al. (2003[Hitchcock, P. B., Lee, T. H. & Leigh, G. J. (2003). Dalton Trans. pp. 2276-2279.]); Wang et al. (2011[Wang, Y.-Q., Sun, Q., Yue, Q., Cheng, A.-L., Song, Y. & Gao, E.-Q. (2011). Dalton Trans. 40, 10966-10974.]). For ligand conformations, see: Kärnä et al. (2010[Kärnä, M., Lahtinen, M., Hakkarainen, P.-L. & Valkonen, J. (2010). Aust. J. Chem. 63, 1122-1137.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn2Br6(C11H28N2O2)]

  • Mr = 809.69

  • Tetragonal, P 43 21 2

  • a = 8.0163 (4) Å

  • c = 35.3103 (18) Å

  • V = 2269.1 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 11.69 mm-1

  • T = 123 K

  • 0.25 × 0.25 × 0.20 mm

Data collection
  • Bruker-NoniusKappa APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2008a[Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.]) Tmin = 0.440, Tmax = 0.746

  • 5076 measured reflections

  • 1966 independent reflections

  • 1856 reflections with I > 2[sigma](I)

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.047

  • S = 1.02

  • 1966 reflections

  • 111 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.36 e Å-3

  • [Delta][rho]min = -0.41 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 690 Friedel pairs

  • Flack parameter: 0.048 (14)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1...Br3i 0.75 (2) 2.49 (2) 3.232 (3) 175 (5)
Symmetry code: (i) [x+{\script{1\over 2}}, -y+{\script{5\over 2}}, -z+{\script{1\over 4}}].

Data collection: COLLECT (Bruker, 2008[Bruker (2008). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); molecular graphics: Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FJ2604 ).


Acknowledgements

The financial support of University of Jyväskylä is gratefully acknowledged.

References

Bruker (2008). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.
Englert, U. & Schiffers, S. (2006). Acta Cryst. E62, m295-m296.  [CSD] [CrossRef] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Han, S., Liu, X.-Y., Cai, Z.-F. Z.-P., Yin, W.-T., Xie, X.-D., Zhou, J.-R., Yang, L.-M. & Ni, C.-L. (2012). Inorg. Chem. Commun. 24, 91-94.  [CrossRef] [ChemPort]
Hitchcock, P. B., Lee, T. H. & Leigh, G. J. (2003). Dalton Trans. pp. 2276-2279.  [CSD] [CrossRef]
Hu, C. & Englert, U. (2006). Angew. Chem. Int. Ed. Engl. 45, 3457-3459.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Kärnä, M., Lahtinen, M., Hakkarainen, P.-L. & Valkonen, J. (2010). Aust. J. Chem. 63, 1122-1137.
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.  [ISI] [CrossRef] [ChemPort] [details]
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Turgunov, K. K., Wang, Y., Englert, U. & Shakhidoyatov, K. M. (2011). Acta Cryst. E67, m953-m954.  [CSD] [CrossRef] [details]
Wang, Y.-Q., Sun, Q., Yue, Q., Cheng, A.-L., Song, Y. & Gao, E.-Q. (2011). Dalton Trans. 40, 10966-10974.  [CSD] [CrossRef] [ChemPort] [PubMed]


Acta Cryst (2012). E68, m1453-m1454   [ doi:10.1107/S1600536812044765 ]

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