Information card for entry 4312186

Structure parameters

• Formula: C34 H52 Cl F3 N7 O4 Ru S
• Calculated formula: C34 H51 Cl F3 N7 O4 Ru S
• SMILES: [Ru]123(Cl)([OH2])[N](Cc4[n]1c(NCC(C)(C)C)ccc4)(Cc1[n]2c(NCC(C)(C)C)ccc1)Cc1[n]3c(NCC(C)(C)C)ccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites
• Authors of publication: Jitsukawa, Koichiro; Oka, Yoshiyuki; Yamaguchi, Syuhei; Masuda, Hideki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 8119 - 8129
• a: 22.457 ± 0.004 Å
• b: 23.066 ± 0.006 Å
• c: 16.692 ± 0.002 Å
• α: 90°
• β: 95.99 ± 0.01°
• γ: 90°
• Cell volume: 8599 ± 3 ų
• Cell temperature: 288.2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No