Information card for entry 4075743

Structure parameters

• Formula: C50 H44 F6 Ir O3 P2 Sb
• Calculated formula: C50 H44 F6 Ir O3 P2 Sb
• Title of publication: Electronic and Steric Effects in the Insertion of Alkynes into an Iridium(III) Hydride
• Authors of publication: Li, Xingwei; Vogel, Tiffany; Incarvito, Christopher D.; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 62
• a: 25.032 ± 0.005 Å
• b: 14.67 ± 0.003 Å
• c: 13.062 ± 0.003 Å
• α: 90°
• β: 107.35 ± 0.03°
• γ: 90°
• Cell volume: 4578.4 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No