Information card for entry 4341995

Structure parameters

• Formula: C83.2 H65.2 Cl6 F4 N16 O32.6 Ru4
• Calculated formula: C83.2 H65.2 Cl6 F4 N16 O32.6 Ru4
• Title of publication: Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.
• Authors of publication: López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 658 - 666
• a: 12.6065 ± 0.0008 Å
• b: 13.6669 ± 0.0009 Å
• c: 15.8222 ± 0.0011 Å
• α: 91.81 ± 0.003°
• β: 112.224 ± 0.002°
• γ: 116.112 ± 0.002°
• Cell volume: 2200.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No