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Information card for entry 1550896
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| Coordinates | 1550896.cif |
|---|---|
| Structure factors | 1550896.hkl |
| Original IUCr paper | HTML |
| Chemical name | Propane-1,3-diammonium molybdate |
|---|---|
| Formula | C3 H12 Mo N2 O4 |
| Calculated formula | C3 H12 Mo N2 O4 |
| SMILES | [NH3+]CCC[NH3+].[Mo](=O)(=O)([O-])[O-] |
| Title of publication | Propane-1,3-diammonium molybdate |
| Authors of publication | Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 4 |
| a | 6.4849 ± 0.0003 Å |
| b | 14.7539 ± 0.0007 Å |
| c | 8.3224 ± 0.0004 Å |
| α | 90° |
| β | 97.295 ± 0.0013° |
| γ | 90° |
| Cell volume | 789.82 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0164 |
| Residual factor for significantly intense reflections | 0.016 |
| Weighted residual factors for significantly intense reflections | 0.0403 |
| Weighted residual factors for all reflections included in the refinement | 0.0405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214654 (current) | 2019-04-16 | cif/ hkl/ Adding structures of 1550896 via cif-deposit CGI script. |
1550896.cif 1550896.hkl |
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Users of the data should acknowledge the original authors of the
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