Information card for entry 4067198

Structure parameters

• Formula: C25 H36 F6 Ir2 N O P
• Calculated formula: C25 H36 F6 Ir2 N O P
• Title of publication: Organoiridium Pyridonates and Their Role in the Dehydrogenation of Alcohols
• Authors of publication: Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6763
• a: 27.7377 ± 0.0014 Å
• b: 8.8279 ± 0.0005 Å
• c: 22.6147 ± 0.0011 Å
• α: 90°
• β: 94.363 ± 0.003°
• γ: 90°
• Cell volume: 5521.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No