Information card for entry 4330660

Structure parameters

• Common name: tt4171
• Chemical name: tt4171
• Formula: C75 H116 Cl2 F12 N4 O P6 Ru2
• Calculated formula: C75 H116 Cl2 F12 N4 O P6 Ru2
• Title of publication: Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases
• Authors of publication: Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10916 - 10928
• a: 12.796 ± 0.0012 Å
• b: 17.3536 ± 0.0017 Å
• c: 19.7893 ± 0.0017 Å
• α: 78.4 ± 0.004°
• β: 78.472 ± 0.004°
• γ: 72.842 ± 0.005°
• Cell volume: 4066.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0757
• 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: Yes
• Has Fobs: No