Information card for entry 1520499

Structure parameters

• Formula: C37.35 H42.46 Cl2 N6 O3.88 Ru
• Calculated formula: C37.35 H32 Cl2 N6 O3.88 Ru
• Title of publication: Ruthenium catalysts for water oxidation involving tetradentate polypyridine-type ligands.
• Authors of publication: Tong, Lianpeng; Zong, Ruifa; Zhou, Rongwei; Kaveevivitchai, Nattawut; Zhang, Gang; Thummel, Randolph P.
• Journal of publication: Faraday discussions
• Year of publication: 2015
• Journal volume: 185
• Pages of publication: 87 - 104
• a: 10.4996 ± 0.0004 Å
• b: 13.3012 ± 0.0005 Å
• c: 13.4802 ± 0.0006 Å
• α: 80.434 ± 0.002°
• β: 82.981 ± 0.002°
• γ: 86.221 ± 0.002°
• Cell volume: 1840.52 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No