Information card for entry 4314747

Structure parameters

• Formula: C28 H28 Cl2 N6 O11 Ru
• Calculated formula: C28 H28 Cl2 N6 O11 Ru
• SMILES: [Ru]123([OH2])([n]4ccccc4N4c5ccccc5N(C=14)C)[n]1ccccc1c1cccc([n]21)c1cccc[n]31.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Catalytic Water Oxidation by Single-Site Ruthenium Catalysts
• Authors of publication: Javier J. Concepcion; Jonah W. Jurss; Michael R. Norris; Zuofeng Chen; Joseph L. Templeton; Thomas J. Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1277 - 1279
• a: 13.874 ± 0.001 Å
• b: 15.2143 ± 0.0011 Å
• c: 16.5727 ± 0.0013 Å
• α: 103.936 ± 0.006°
• β: 110.074 ± 0.006°
• γ: 94.635 ± 0.006°
• Cell volume: 3137.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No