Information card for entry 4507881

Structure parameters

• Formula: C60 H52 Cl2 F12 N10 O4 P2 Ru2
• Calculated formula: C60 H49 Cl2 F12 N10 O4 P2 Ru2
• Title of publication: Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines
• Authors of publication: Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki
• Journal of publication: ACS Catalysis
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 812
• a: 19.5432 ± 0.001 Å
• b: 27.2305 ± 0.0014 Å
• c: 23.3159 ± 0.0012 Å
• α: 90°
• β: 99.748 ± 0.001°
• γ: 90°
• Cell volume: 12228.9 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No