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Information card for entry 2209345
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Coordinates | 2209345.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[diaquamanganese(II)]bis(μ-1H-benzimidazole-5-carboxylato-)- κ^2^N^3^:O;κ^2^O:N^3^] dihydrate] |
---|---|
Formula | C16 H18 Mn N4 O8 |
Calculated formula | C16 H18 Mn N4 O8 |
SMILES | [Mn]1([OH2])([OH2])(OC(=O)c2cc3[n](c[nH]c3cc2)[Mn]([OH2])([OH2])OC(=O)c2cc3[n]1c[nH]c3cc2)(OC(=O)c1cc2nc[nH]c2cc1)[n]1c2cc(ccc2[nH]c1)C(=O)[O-].O.O.O.O |
Title of publication | <i>catena</i>-Poly[[[diaquamanganese(II)]bis(μ-1<i>H</i>-benzimidazole-5-carboxylato)-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^] dihydrate] |
Authors of publication | Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Ng, Seik Weng; Huang, Ke-Long |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | m1293 - m1295 |
a | 16.246 ± 0.002 Å |
b | 9.076 ± 0.001 Å |
c | 14.198 ± 0.002 Å |
α | 90° |
β | 119.543 ± 0.002° |
γ | 90° |
Cell volume | 1821.3 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2209345.html
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Users of the data should acknowledge the original authors of the
structural data.