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Information card for entry 1544794
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| Coordinates | 1544794.cif |
|---|---|
| Structure factors | 1544794.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | manganese(II) <i>p</i>-arsanilate decahydrate |
|---|---|
| Chemical name | Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate |
| Formula | C12 H34 As2 Mn N2 O16 |
| Calculated formula | C12 H34 As2 Mn N2 O16 |
| SMILES | [As]([O-])(=O)(O)c1ccc(N)cc1.[As]([O-])(=O)(O)c1ccc(N)cc1.[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O |
| Title of publication | Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate |
| Authors of publication | Smith, Graham; Wermuth, Urs D. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 12 |
| Pages of publication | x161985 |
| a | 15.204 ± 0.0009 Å |
| b | 6.7388 ± 0.0003 Å |
| c | 13.0699 ± 0.0008 Å |
| α | 90° |
| β | 107.951 ± 0.007° |
| γ | 90° |
| Cell volume | 1273.91 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544794.cif 1544794.hkl |
| 189172 | 2016-12-17 | cif/ hkl/ Adding structures of 1544794 via cif-deposit CGI script. |
1544794.cif 1544794.hkl |
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Users of the data should acknowledge the original authors of the
structural data.