Information card for entry 4072778

Structure parameters

• Chemical name: cis-dicarbonyl bis(diphenylphosphino)methane(acetyl)methyl osmium(II)
• Formula: C30 H28 O3 Os P2
• Calculated formula: C30 H28 O3 Os P2
• SMILES: [Os]1([P](c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(C(=O)C)(C#[O])(C)C#[O]
• 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: 20.0449 ± 0.0002 Å
• b: 12.031 ± 0.0001 Å
• c: 25.3155 ± 0.0002 Å
• α: 90°
• β: 110.35°
• γ: 90°
• Cell volume: 5724.05 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No