Poly[[μ-N,N′-bis­(2-hy­droxy­eth­yl)-N,N,N′,N′-tetra­methyl­propane-1,3-diaminium-κ2O:O′]tetra-μ-bromido-dibromidodimanganese(II)]

Rinta, H.; Peuronen, A.; Lahtinen, M.

doi:10.1107/S1600536812044765

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 (C-C) = 0.005 Å
R = 0.021
wR = 0.047
Data-to-parameter ratio = 17.7
Details

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

Heikki Rinta,^a Anssi Peuronen ^a and Manu Lahtinen ^a ^*

^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 Mn^II 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 Mn^II 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 Mn^II 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-HBr hydrogen bonds are present. The distance between adjacent Mn^II atoms is 4.022 (1) Å.

Related literature

For related structures of M^II transition metal halide one-dimensional coordination polymers, see: Han et al. (2012); Englert & Schiffers (2006). For two-dimensional networks, see: Hu & Englert (2006); Turgunov et al. (2011). For properties of metal halides, see: Hitchcock et al. (2003); Wang et al. (2011). For ligand conformations, see: Kärnä et al. (2010).

Experimental

Crystal data

[Mn₂Br₆(C₁₁H₂₈N₂O₂)]
M_r = 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 radiation
= 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) T_min = 0.440, T_max = 0.746
5076 measured reflections
1966 independent reflections
1856 reflections with I > 2(I)
R_int = 0.032

Refinement

R[F² > 2(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
_max = 0.36 e Å^-3
_min = -0.41 e Å^-3
Absolute structure: Flack (1983), 690 Friedel pairs
Flack parameter: 0.048 (14)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1Br3ⁱ	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); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b); molecular graphics: Mercury (Macrae et al., 2008); 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

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