Information card for entry 2004764

Structure parameters

• Chemical name: Tetraphenylphosphonium trans-Tetrabromoaquacarbonylosmate(III)
• Formula: C25 H22 Br4 O2 Os P
• Calculated formula: C25 H22 Br4 O2 Os P
• SMILES: C(#[O])[Os]([OH2])(Br)(Br)(Br)Br.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tetraphenylphosphonium <i>trans</i>-Aquatetrabromo(carbonyl)osmate(III), <i>trans</i>-[(C~6~H~5~)~4~P][OsBr~4~(CO)(H~2~O)]
• Authors of publication: Höhling, M.; Preetz, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 863 - 865
• a: 10.5458 ± 0.0009 Å
• b: 12.4347 ± 0.001 Å
• c: 12.5963 ± 0.0012 Å
• α: 65.749 ± 0.009°
• β: 85.167 ± 0.008°
• γ: 68.828 ± 0.007°
• Cell volume: 1400.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0683
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.0556
• Goodness-of-fit parameter for all reflections: 1.162
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No