Information card for entry 4347153

Structure parameters

• Formula: C12 H15 Ir N O4
• Calculated formula: C12 H15 Ir N O4
• Title of publication: New Ir Bis-Carbonyl Precursor for Water Oxidation Catalysis.
• Authors of publication: Huang, Daria L.; Beltrán-Suito, Rodrigo; Thomsen, Julianne M.; Hashmi, Sara M.; Materna, Kelly L.; Sheehan, Stafford W.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2427 - 2435
• a: 8.222 ± 0.0002 Å
• b: 8.8397 ± 0.0003 Å
• c: 9.5097 ± 0.0007 Å
• α: 97.7 ± 0.007°
• β: 108.239 ± 0.008°
• γ: 90.64 ± 0.006°
• Cell volume: 649.49 ± 0.06 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0135
• Residual factor for significantly intense reflections: 0.013
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No