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Information card for entry 2016195
Preview
Coordinates | 2016195.cif |
---|---|
Structure factors | 2016195.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-4-carboxy-2-sulfonatobenzoato)bis[aqua(2,2'-bipyridyl)manganese(II)] |
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Formula | C36 H28 Mn2 N4 O16 S2 |
Calculated formula | C36 H28 Mn2 N4 O16 S2 |
SMILES | c1cccc2c3[n](cccc3)[Mn]34([n]12)(OC(=O)c1c(S(=O)(=O)O3)cc(cc1)C(O)=[O][Mn]12([n]3ccccc3c3cccc[n]13)(OC(=O)c1c(S(=O)(=O)O2)cc(cc1)C(O)=[O]4)[OH2])[OH2] |
Title of publication | Bis(μ-4-carboxy-2-sulfonatobenzoato)bis[aqua(2,2'-bipyridyl)manganese(II)] |
Authors of publication | Zhao-Xun Lian; Jia-Min Zhang; Ming-Lu Xu; Guang-Ri Xu; Tian-Jun Lou |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 10 |
Pages of publication | m445 - m447 |
a | 7.317 ± 0.007 Å |
b | 9.604 ± 0.003 Å |
c | 12.799 ± 0.005 Å |
α | 88.47 ± 0.03° |
β | 86.06 ± 0.05° |
γ | 87.74 ± 0.05° |
Cell volume | 896.3 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2016195.html
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