Information card for entry 4341987

Structure parameters

• Formula: C50 H44.5 Cl4 N10 O20 Ru2
• Calculated formula: C50 H44.5 Cl4 N10 O20 Ru2
• 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: 12.3879 ± 0.0008 Å
• b: 13.3477 ± 0.0009 Å
• c: 16.7742 ± 0.0011 Å
• α: 96.503 ± 0.002°
• β: 97.743 ± 0.002°
• γ: 94.44 ± 0.002°
• Cell volume: 2718.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No