Poly[[tris­(μ3-2-oxidopyridinium-3-carboxyl­ato)manganese(II)sodium(I)] monohydrate]

Zhang, B.-Y.; Nie, J.-J.; Xu, D.-J.

doi:10.1107/S1600536810002953

Volume 66
Part 2
Pages m213-m214
February 2010

Received 21 January 2010
Accepted 24 January 2010
Online 30 January 2010

Key indicators
Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.005 Å
Disorder in solvent or counterion
R = 0.033
wR = 0.099
Data-to-parameter ratio = 12.8
Details

Poly[[tris(₃-2-oxidopyridinium-3-carboxylato)manganese(II)sodium(I)] monohydrate]

Bing-Yu Zhang,^a Jing-Jing Nie ^a and Duan-Jun Xu ^a ^*

^aDepartment of Chemistry, Zhejiang University, Hangzhou 310027, People's Republic of China
Correspondence e-mail: xudj@mail.hz.zj.cn

In the crystal structure of the title compound, {[MnNa(C₆H₄NO₃)₃]·H₂O}_n, the Mn^II cation is located on a threefold rotation axis and is chelated by three 2-oxidopyridinium-3-carboxylate (opc) anions in an octahedal coordination. The Na^I cation is located on a threefold rotation axis and is surrounded by six O atoms from three opc anions. The opc anions link the Mn and Na cations, forming a three-dimensional polymeric structure. The uncoordinated water molecule, located on a threefold rotation axis, is equally disordered over two sites. The three-dimensional network is consolidated by N-HO hydrogen bonds.

Related literature

For related Ni^II and Co^II complexes, see: Zhang et al. (2009a,b). For comparison C-O bond distances in 2-oxidopyridinium-3-carboxylate and 2-hydroxypyridinecarboxylate complexes, see: Yao et al. (2004); Yan & Hu (2007a,b); Wen & Liu (2007); Quintal et al. (2002). For comparison C-O bond distances in 2-hydroxybenzoic acid and 2-hydroxybenzoate complexes, see: Munshi & Guru Row (2006); Su & Xu (2005); Li et al. (2005).

Experimental

Crystal data

[MnNa(C₆H₄NO₃)₃]·H₂O
M_r = 510.25
Trigonal, R 3c
a = 10.1478 (18) Å
c = 37.420 (13) Å
V = 3337.1 (15) Å³
Z = 6
Mo K radiation
= 0.67 mm^-1
T = 294 K
0.33 × 0.28 × 0.26 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.822, T_max = 0.840
6825 measured reflections
1315 independent reflections
1236 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.033
wR(F²) = 0.099
S = 1.16
1315 reflections
103 parameters
1 restraint
H-atom parameters constrained
_max = 0.35 e Å^-3
_min = -0.49 e Å^-3
Absolute structure: Flack (1983), 649 Friedel pairs
Flack parameter: -0.01 (3)

Table 1
Selected bond lengths (Å)

Mn-O2	2.123 (3)
Mn-O3	2.168 (2)
Na1-O1ⁱ	2.331 (2)
Na1-O3	2.459 (3)
Symmetry code: (i) $[-x+y+{\script{4\over 3}}, y+{\script{2\over 3}}, z+{\script{1\over 6}}]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1NO1ⁱⁱ	0.90	2.12	2.983 (4)	161
N1-H1NO2ⁱⁱ	0.90	2.37	3.113 (4)	140
Symmetry code: (ii) $[x+{\script{1\over 3}}, x-y-{\script{1\over 3}}, z+{\script{1\over 6}}]$ .

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2724 ).

Acknowledgements

The project was supported by the ZIJIN project of Zhejiang University, China.

References

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