Information card for entry 4328613

Structure parameters

• Formula: C33 H32 F12 N6 P2 Ru
• Calculated formula: C33 H32 F12 N6 P2 Ru
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Ru]([n]12)([n]34)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Water Oxidation Catalysis: Influence of Anionic Ligands upon the Redox Properties and Catalytic Performance of Mononuclear Ruthenium Complexes
• Authors of publication: Lianpeng Tong; Ying Wang; Lele Duan; Yunhua Xu; Xiao Cheng; Andreas Fischer; Mårten S. G. Ahlquist; Licheng Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3388 - 3398
• a: 14.0076 ± 0.0014 Å
• b: 19.784 ± 0.003 Å
• c: 13.5054 ± 0.0011 Å
• α: 90°
• β: 101.369 ± 0.007°
• γ: 90°
• Cell volume: 3669.3 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No