Information card for entry 4341991

Structure parameters

• Formula: C62 H54 Cl4 N12 O26 Ru3
• Calculated formula: C62 H54 Cl4 N12 O26 Ru3
• 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: 13.2783 ± 0.0017 Å
• b: 22.367 ± 0.003 Å
• c: 22.842 ± 0.003 Å
• α: 90°
• β: 100.173 ± 0.005°
• γ: 90°
• Cell volume: 6677.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No