Information card for entry 4104766

Structure parameters

• Formula: C52 H53 F18 N10 O12 P3 Ru2
• Calculated formula: C52 H53 F18 N10 O12 P3 Ru2
• SMILES: C1(=O)c2cccc3c4cccc5[n]4[Ru]([n]23)([n]2ccc(cc2)C)([n]2ccc(cc2)C)(O1)([OH][H][OH][Ru]123([n]4c(C(=O)O2)cccc4c2cccc([n]12)C(=O)O3)([n]1ccc(cc1)C)[n]1ccc(cc1)C)OC5=O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.O.[P](F)(F)(F)(F)(F)[F-].N#CC.O
• Title of publication: Isolated Seven-Coordinate Ru(IV) Dimer Complex with [HOHOH]-Bridging Ligand as an Intermediate for Catalytic Water Oxidation
• Authors of publication: Lele Duan; Andreas Fischer; Yunhua Xu; Licheng Sun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10397 - 10399
• a: 8.214 ± 0.0006 Å
• b: 13.284 ± 0.004 Å
• c: 14.513 ± 0.004 Å
• α: 79.7 ± 0.02°
• β: 87.324 ± 0.013°
• γ: 83.863 ± 0.015°
• Cell volume: 1548.5 ± 0.7 ų
• Cell temperature: 173 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: 0.063
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No