Information card for entry 4335691

Structure parameters

• Formula: C52 H35 B Cl F24 Ir N2 O2
• Calculated formula: C52 H35 B Cl F24 Ir N2 O2
• Title of publication: Iridium Dihydroxybipyridine Complexes Show That Ligand Deprotonation Dramatically Speeds Rates of Catalytic Water Oxidation
• Authors of publication: Joseph DePasquale; Ismael Nieto; Lauren E. Reuther; Corey J. Herbst-Gervasoni; Jared J. Paul; Vadym Mochalin; Matthias Zeller; Christine M. Thomas; Anthony W. Addison; Elizabeth T. Papish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9175 - 9183
• a: 12.5011 ± 0.0016 Å
• b: 13.0829 ± 0.0017 Å
• c: 17.668 ± 0.002 Å
• α: 106.619 ± 0.002°
• β: 95.77 ± 0.002°
• γ: 104.581 ± 0.002°
• Cell volume: 2632.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes