Information card for entry 7105735

Structure parameters

• Common name: [(Cp*)Ir(2-bzpy)NO3]
• Formula: C22 H23 Ir N2 O4
• Calculated formula: C22 H23 Ir N2 O4
• Title of publication: Iridium(III) Molecular Catalysts for Water Oxidation: the Simpler the Faster
• Authors of publication: Arianna Savini; Gianfranco Bellachioma; Gianluca Ciancaleoni; Cristiano Zuccaccia; Daniele Zuccaccia; Alceo Macchioni
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 9218
• a: 14.112 ± 0.007 Å
• b: 9.453 ± 0.005 Å
• c: 15.848 ± 0.006 Å
• α: 90°
• β: 101.606 ± 0.008°
• γ: 90°
• Cell volume: 2070.9 ± 1.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No