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Information card for entry 1507785
Preview
| Coordinates | 1507785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H45 Cl Mo2 O12 P2 Si |
|---|---|
| Calculated formula | C50 H45 Cl Mo2 O12 P2 Si |
| SMILES | [Mo]1234(=O)(OO1)O[O]2[Mo]12(O[Si](O3)(CCl)C)([O]4O1)(OO2)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues |
| Authors of publication | Salles, L; Piquemal, J Y; Mahha, Y; Gentil, M; Herson, P; Bregeault, M |
| Journal of publication | Polyhedron |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 17 |
| Pages of publication | 4786 - 4792 |
| a | 13.467 ± 0.003 Å |
| b | 13.548 ± 0.003 Å |
| c | 15.931 ± 0.003 Å |
| α | 76.03 ± 0.02° |
| β | 79.39 ± 0.02° |
| γ | 61.18 ± 0.02° |
| Cell volume | 2463.4 ± 1 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0605 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507785.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1507785.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507785.cif |
| 62064 | 2012-07-06 | cif/ Adding structures of 1507785 via cif-deposit CGI script. |
1507785.cif |
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