Information card for entry 4077563

Structure parameters

• Formula: C40 H30 Cl4 O2 Os P2
• Calculated formula: C40 H30 Cl4 O2 Os P2
• SMILES: [Os]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(C#[O])(C#[O])C(=C(Cl)Cl)Cl
• Title of publication: Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2
• Authors of publication: Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 4344
• a: 12.0712 ± 0.0001 Å
• b: 17.2622 ± 0.0001 Å
• c: 34.6301 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7216.06 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.393
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No