Information card for entry 7106643

Structure parameters

• Formula: C19 H22 F6 N8 O6 Ru S2
• Calculated formula: C19 H22 F6 N8 O6 Ru S2
• SMILES: [Ru]1([n]2ccccc2c2c1[n+](nn2C)C)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[O-]S(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F
• Title of publication: Tunable single-site ruthenium catalysts for efficient water oxidation
• Authors of publication: Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8058
• a: 10.8566 ± 0.0005 Å
• b: 11.8285 ± 0.0004 Å
• c: 12.7801 ± 0.0005 Å
• α: 71.673 ± 0.003°
• β: 72.374 ± 0.004°
• γ: 65.259 ± 0.004°
• Cell volume: 1386.76 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No