Information card for entry 4072779

Structure parameters

• Chemical name: u-bis(diphenylphosphino)propane bis(dimethyltricarbonyl osmium(II)]
• Formula: C37 H38 O6 Os2 P2
• Calculated formula: C37 H38 O6 Os2 P2
• SMILES: [Os]([P](CCC[P]([Os](C)(C#[O])(C#[O])(C)C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)(C#[O])(C#[O])(C#[O])C
• Title of publication: Reaction Pathways forfac-Os(CO)3(MeCN)Me2with Mono- and Bidentate Ligands
• Authors of publication: Overett, Matthew J.; Su, Hong; Moss, John R.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1256
• a: 17.0882 ± 0.0001 Å
• b: 17.2902 ± 0.0002 Å
• c: 12.5953 ± 0.0002 Å
• α: 90°
• β: 98.5 ± 0.03°
• γ: 90°
• Cell volume: 3680.5 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No