Information card for entry 4070846

Structure parameters

• Formula: C47 H54 B O Os P
• Calculated formula: C47 H54 B O Os P
• SMILES: [Os]12345([P](C(C)C)(C(C)C)C(C)C)([CH2]=[CH]1c1ccccc1)(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactions of a Dihydride−Osmium(IV) Complex with Aldehydes: Influence of the Substituent at the Carbonyl Group
• Authors of publication: Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Rubio, Lucía
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 799
• a: 16.86 ± 0.0017 Å
• b: 10.1387 ± 0.001 Å
• c: 23.855 ± 0.002 Å
• α: 90°
• β: 102.482 ± 0.003°
• γ: 90°
• Cell volume: 3981.4 ± 0.7 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• 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: 0.1293
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No