Information card for entry 4324744

Structure parameters

• Formula: C54 H47.65 Cl F12 N10 O1.32 P2 Ru2
• Calculated formula: C54 H47.6451 Cl F12 N10 O1.32255 P2 Ru2
• Title of publication: Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts
• Authors of publication: Laia Francàs; Xavier Sala; Eduardo Escudero-Adán; Jordi Benet-Buchholz; Lluís Escriche; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2771 - 2781
• a: 14.637 ± 0.0008 Å
• b: 19.5535 ± 0.001 Å
• c: 20.3342 ± 0.0011 Å
• α: 98.898 ± 0.002°
• β: 103.603 ± 0.002°
• γ: 102.698 ± 0.003°
• Cell volume: 5385.9 ± 0.5 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: 0.0577
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No