Information card for entry 4084057

Structure parameters

• Formula: C48 H52 B N6 O Os P
• Calculated formula: C48 H52 B N6 O Os P
• SMILES: [Os]12([P](C(C)C)(C(C)C)C(C)C)([n]3n([B](n4[n]1ccc4)(n1[n]2ccc1)C=C=C(c1ccccc1)c1ccccc1)ccc3)(C=C(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Osmium-Acyl Decarbonylation Promoted by Tp-Mediated Allenylidene Abstraction: A New Role of the Tp Ligand
• Authors of publication: Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4057
• a: 16.2629 ± 0.0007 Å
• b: 14.3958 ± 0.0006 Å
• c: 19.3703 ± 0.0008 Å
• α: 90°
• β: 105.462 ± 0.001°
• γ: 90°
• Cell volume: 4370.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No