Information card for entry 4125159

Structure parameters

• Formula: C56 H80 Cl N2 Os P
• Calculated formula: C56 H80 Cl N2 Os P
• Title of publication: Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.
• Authors of publication: Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 30
• Pages of publication: 9720 - 9728
• a: 12.5093 ± 0.0011 Å
• b: 13.2893 ± 0.0012 Å
• c: 31.967 ± 0.003 Å
• α: 90°
• β: 93.927 ± 0.001°
• γ: 90°
• Cell volume: 5301.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No