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Information card for entry 2021964
Preview
| Coordinates | 2021964.cif |
|---|---|
| Structure factors | 2021964.hkl |
| Original IUCr paper | HTML |
| Chemical name | Nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate |
|---|---|
| Formula | C59.5 H76.5 Mo10 N8.5 O60.029 P4 |
| Calculated formula | C63 H90 Mo10 N9 O58 P4 |
| Title of publication | Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder |
| Authors of publication | Skorepova, Eliska; Harchani, Ali; Ftini, Mohamed Mongi; Dušek, Michal; Haddad, Amor |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 2 |
| a | 14.8316 ± 0.0002 Å |
| b | 15.2679 ± 0.0001 Å |
| c | 23.237 ± 0.0002 Å |
| α | 89.1396 ± 0.0007° |
| β | 78.1097 ± 0.0007° |
| γ | 75.4959 ± 0.0008° |
| Cell volume | 4981.24 ± 0.09 Å3 |
| Cell temperature | 95 ± 0.6 K |
| Ambient diffraction temperature | 95 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 | 0.0958 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.2124 |
| Weighted residual factors for all reflections included in the refinement | 0.2187 |
| Goodness-of-fit parameter for significantly intense reflections | 2.93 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.74 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246997 (current) | 2020-01-18 | cif/ hkl/ Adding structures of 2021964 via cif-deposit CGI script. |
2021964.cif 2021964.hkl |
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Users of the data should acknowledge the original authors of the
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