Information card for entry 4105654

Structure parameters

• Formula: C41 H63 B N2 O Os P2
• Calculated formula: C41 H63 B N2 O Os P2
• SMILES: [Os]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(B(Nc1ccc(C)cc1)Nc1ccc(C)cc1)(C#Cc1ccccc1)C#[O]
• Title of publication: From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates
• Authors of publication: María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2250 - 2263
• a: 11.1936 ± 0.0016 Å
• b: 11.8609 ± 0.0017 Å
• c: 16.576 ± 0.002 Å
• α: 106.953 ± 0.003°
• β: 97.875 ± 0.003°
• γ: 97.96 ± 0.003°
• Cell volume: 2047.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No