Information card for entry 4335692

Structure parameters

• Formula: C21 H27 Cl2 Ir N2 O3
• Calculated formula: C20.5897 H27 Cl2 Ir N2 O3
• 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: 14.595 ± 0.004 Å
• b: 12.004 ± 0.004 Å
• c: 12.727 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2229.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No