Information card for entry 4073096

Structure parameters

• Formula: C45 H55.5 Cl0 F6 N6.5 O6 Os S2
• Calculated formula: C45 H55.5 F6 N6.5 O6 Os S2
• Title of publication: Preparation and Structure of Alkylidene−Osmium and Hydride−Alkylidyne−Osmium Complexes Containing an N-Heterocyclic Carbene Ligand
• Authors of publication: Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 2129
• a: 49.43 ± 0.003 Å
• b: 16.0307 ± 0.0009 Å
• c: 12.9022 ± 0.0007 Å
• α: 90°
• β: 95.569 ± 0.001°
• γ: 90°
• Cell volume: 10175.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No