Information card for entry 4085530

Structure parameters

• Formula: C31 H52 B2 O5 Os P2
• Calculated formula: C31 H52 B2 O5 Os P2
• SMILES: [Os]1([H][B]2([H]1)Oc1ccccc1O2)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(B1Oc2ccccc2O1)C#[O]
• Title of publication: Boryl-Dihydrideborate Osmium Complexes: Preparation, Structure, and Dynamic Behavior in Solution
• Authors of publication: Esteruelas, Miguel A.; López, Ana M.; Mora, Malka; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 941
• a: 12.8512 ± 0.0015 Å
• b: 16.824 ± 0.0019 Å
• c: 16.3209 ± 0.0018 Å
• α: 90°
• β: 101.268 ± 0.002°
• γ: 90°
• Cell volume: 3460.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No