Information card for entry 4341992

Structure parameters

• Formula: C87 H66.5 Cl2 F28 N19.5 O11 P4 Ru4
• Calculated formula: C87 H66.5 Cl2 F28 N19.5 O11 P4 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: 13.41 ± 0.002 Å
• b: 14.433 ± 0.002 Å
• c: 15.012 ± 0.003 Å
• α: 74.839 ± 0.007°
• β: 66.059 ± 0.007°
• γ: 80.026 ± 0.005°
• Cell volume: 2555.7 ± 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: 0.1242
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No