Information card for entry 4326585

Structure parameters

• Formula: C11.5 H15.5 Cl N2.5 O2.5 Ru0.5
• Calculated formula: C11.5 H14.5 Cl N2.5 O2.5 Ru0.5
• Title of publication: Water Oxidation by Mononuclear Ruthenium Complexes with TPA-Based Ligands
• Authors of publication: Bhasker Radaram; Jeffrey A. Ivie; Wangkheimayum Marjit Singh; Rafal M. Grudzien; Joseph H. Reibenspies; Charles Edwin Webster; Xuan Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10564 - 10571
• a: 9.1942 ± 0.0011 Å
• b: 11.2165 ± 0.0016 Å
• c: 15.3109 ± 0.0017 Å
• α: 80.277 ± 0.009°
• β: 73.837 ± 0.008°
• γ: 79.221 ± 0.01°
• Cell volume: 1478.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1998
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No