Information card for entry 4118910

Structure parameters

• Formula: C19 H19 Br Cl2 N4 O5 Ru S
• Calculated formula: C19 H19 Br Cl2 N4 O5 Ru S
• Title of publication: Toward Controlling Water Oxidation Catalysis: Tunable Activity of Ruthenium Complexes with Axial Imidazole/DMSO Ligands
• Authors of publication: Lei Wang; Lele Duan; Beverly Stewart; Maoping Pu; Jianhui Liu; Timofei Privalov; Licheng Sun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18868 - 18880
• a: 8.652 ± 0.004 Å
• b: 14.984 ± 0.008 Å
• c: 19.066 ± 0.01 Å
• α: 90.829 ± 0.007°
• β: 102.188 ± 0.007°
• γ: 94.639 ± 0.008°
• Cell volume: 2407 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1889
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No