Information card for entry 4084056

Structure parameters

• Formula: C51 H54.5 B F0.5 N6 O Os P
• Calculated formula: C51 H54.5 B F0.5 N6 O Os P
• 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: 13.687 ± 0.002 Å
• b: 17.372 ± 0.003 Å
• c: 21.6 ± 0.003 Å
• α: 93.557 ± 0.002°
• β: 100.165 ± 0.002°
• γ: 105.928 ± 0.002°
• Cell volume: 4827.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No