Information card for entry 4080958

Structure parameters

• Common name: iiia0271
• Chemical name: iiia0271
• Formula: C58.71 H51.28 B Cl0.29 F24 Ir P
• Calculated formula: C58.711 H51.2775 B Cl0.289 F24 Ir P
• Title of publication: Synthesis and Characterization of Iridium(I) and Iridium(III) Complexes Containing Dialkylbiphenylphosphines
• Authors of publication: O’Connor, Abby R.; Kaminsky, Werner; Chan, Benny C.; Heinekey, D. M.; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 4016
• a: 17.6548 ± 0.0006 Å
• b: 18.0941 ± 0.0006 Å
• c: 20.6767 ± 0.0007 Å
• α: 71.987 ± 0.002°
• β: 68.813 ± 0.002°
• γ: 86.029 ± 0.002°
• Cell volume: 5850.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No