Information card for entry 4078770

Structure parameters

• Formula: C25 H46 B Cl O3 Os P2
• Calculated formula: C25 H46 B Cl O3 Os P2
• SMILES: [Os]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(Cl)(C#[O])B1Oc2c(O1)cccc2
• Title of publication: Preparation, Structure, Bonding, and Preliminary Reactivity of a Six-Coordinate d4Osmium‒Boryl Complex
• Authors of publication: Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4646
• a: 16.246 ± 0.003 Å
• b: 10.8358 ± 0.0018 Å
• c: 16.886 ± 0.003 Å
• α: 90°
• β: 106.226 ± 0.002°
• γ: 90°
• Cell volume: 2854.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No