Information card for entry 4070842

Structure parameters

• Formula: C51.5 H70 B Cl2 F4 N2 Os P
• Calculated formula: C51.5 H70 B Cl2 F4 N2 Os P
• Title of publication: Osmium−Allenylidene Complexes Containing an N-Heterocyclic Carbene Ligand
• Authors of publication: Castarlenas, Ricardo; Esteruelas, Miguel A.; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 795
• a: 22.677 ± 0.002 Å
• b: 22.619 ± 0.002 Å
• c: 21.715 ± 0.002 Å
• α: 90°
• β: 113.325 ± 0.002°
• γ: 90°
• Cell volume: 10228 ± 1.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No