Information card for entry 4076078

Structure parameters

• Formula: C38 H50 Cl F3 N2 O3 Os S
• Calculated formula: C38 H50 Cl F3 N2 O3 Os S
• Title of publication: N-Heterocyclic Carbene−Osmium Complexes for Olefin Metathesis Reactions
• Authors of publication: Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 4343
• a: 11.8789 ± 0.0006 Å
• b: 19.3238 ± 0.001 Å
• c: 16.9639 ± 0.0009 Å
• α: 90°
• β: 95.917 ± 0.001°
• γ: 90°
• Cell volume: 3873.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No