Information card for entry 4341996

Structure parameters

• Formula: C84 H66 F36 N18 O3 P6 Ru4
• Calculated formula: C84 H66 F36 N18 O3 P6 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: 20.078 ± 0.002 Å
• b: 19.058 ± 0.002 Å
• c: 28.627 ± 0.003 Å
• α: 90°
• β: 101.484 ± 0.003°
• γ: 90°
• Cell volume: 10734.7 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No