Information card for entry 4066874

Structure parameters

• Formula: C43 H62 B F4 N3 Os
• Calculated formula: C43 H62 B F4 N3 Os
• Title of publication: C−C Bond Activation of the NHC Ligand of an Osmium−Amido Complex
• Authors of publication: Bolaño, Tamara; Buil, María L.; Esteruelas, Miguel A.; Izquierdo, Susana; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4517
• a: 11.875 ± 0.003 Å
• b: 16.183 ± 0.004 Å
• c: 21.16 ± 0.006 Å
• α: 90°
• β: 94.704 ± 0.005°
• γ: 90°
• Cell volume: 4052.7 ± 1.8 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: 0.0486
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No