Information card for entry 4070841

Structure parameters

• Formula: C57 H76 B2 F8 N5 Os P
• Calculated formula: C57 H76 B2 F8 N5 Os P
• SMILES: [Os]([P](C(C)C)(C(C)C)C(C)C)([N]#CC)([N]#CC)([N]#CC)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C=C=C(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 29.156 ± 0.005 Å
• b: 25.895 ± 0.004 Å
• c: 20.849 ± 0.003 Å
• α: 90°
• β: 132.683 ± 0.002°
• γ: 90°
• Cell volume: 11571 ± 3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 7
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No