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Information card for entry 1507783
Preview
Coordinates | 1507783.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H46 Mo2 O12 P2 Si |
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Calculated formula | C50 H46 Mo2 O12 P2 Si |
SMILES | [Mo]1234(=O)(OO1)O[O]2[Mo]12(O[Si](O3)(C)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 | 13.395 ± 0.003 Å |
b | 13.474 ± 0.006 Å |
c | 15.877 ± 0.003 Å |
α | 76.99 ± 0.03° |
β | 77.8 ± 0.02° |
γ | 61.03 ± 0.02° |
Cell volume | 2425 ± 1.4 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 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 | 0.0914 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for all reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0532 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1236 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1507783.html
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Users of the data should acknowledge the original authors of the
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