Information card for entry 4312183

Structure parameters

• Formula: C28 H42 Cl2 F6 N6 O P Ru
• Calculated formula: C28 H40 Cl2 F6 N6 O P Ru
• SMILES: [Ru]123(Cl)(Cl)[N](Cc4[n]1c(NCC(C)(C)C)ccc4)(Cc1[n]2c(NCC(C)(C)C)ccc1)Cc1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites
• Authors of publication: Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8119 - 8129
• a: 8.697 ± 0.003 Å
• b: 16.353 ± 0.003 Å
• c: 12.652 ± 0.004 Å
• α: 90°
• β: 102.78 ± 0.02°
• γ: 90°
• Cell volume: 1754.8 ± 0.9 ų
• Cell temperature: 288.2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No