Information card for entry 4341994

Structure parameters

• Formula: C46 H41 F24 N11 O2 P4 Ru2
• Calculated formula: C46 H41 F24 N11 O2 P4 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: 10.7906 ± 0.0012 Å
• b: 12.8062 ± 0.0013 Å
• c: 22.219 ± 0.003 Å
• α: 80.416 ± 0.004°
• β: 77.861 ± 0.005°
• γ: 66.514 ± 0.003°
• Cell volume: 2741.3 ± 0.6 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: 0.1118
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No