Information card for entry 4073097

Structure parameters

• Formula: C44 H63 Cl F3 N2 O3 Os P S
• Calculated formula: C44 H63 Cl F3 N2 O3 Os P S
• SMILES: [OsH](Cl)([P](C(C)C)(C(C)C)C(C)C)(#Cc1ccccc1)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 21.64 ± 0.003 Å
• b: 10.3091 ± 0.0013 Å
• c: 22.299 ± 0.003 Å
• α: 90°
• β: 115.516 ± 0.002°
• γ: 90°
• Cell volume: 4489.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No