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Information card for entry 1564173
Preview
| Coordinates | 1564173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H60 Mo8 N12 O30.2 |
|---|---|
| Calculated formula | C30 H60 Mo8 N12 O30.2 |
| Title of publication | Oxidation of sulfides in aqueous media catalyzed by pyrazole-oxidoperoxido-molybdenum(VI) complexes |
| Authors of publication | Bruno, Sofia M.; Amarante, Tatiana R.; Almeida Paz, Filipe A.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 511 |
| Pages of publication | 119814 |
| a | 8.6007 ± 0.0004 Å |
| b | 13.1512 ± 0.0007 Å |
| c | 14.6215 ± 0.0007 Å |
| α | 115.385 ± 0.002° |
| β | 91.606 ± 0.002° |
| γ | 108.698 ± 0.001° |
| Cell volume | 1388.58 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0184 |
| Residual factor for significantly intense reflections | 0.0168 |
| Weighted residual factors for significantly intense reflections | 0.0436 |
| Weighted residual factors for all reflections included in the refinement | 0.0444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267559 (current) | 2021-07-15 | cif/ Adding structures of 1564172, 1564173 via cif-deposit CGI script. |
1564173.cif |
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