Information card for entry 4315414

Structure parameters

• Common name: 5
• Formula: C71.5 H87 Cl F12 Ir O5 P2 Sb2
• Calculated formula: C56.5 H52 Cl F12 Ir O5 P2 Sb2
• Title of publication: Synthesis, Characterization, and Catalytic Properties of New Electrophilic Iridium(III) Complexes Containing the (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Ligand
• Authors of publication: Abdurrahman C. Atesin; Jing Zhang; Tulaza Vaidya; William W. Brennessel; Alison J. Frontier; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4331 - 4342
• a: 21.483 ± 0.002 Å
• b: 21.483 ± 0.002 Å
• c: 33.421 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15424 ± 4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No