Information card for entry 7712896

Structure parameters

• Formula: C32 H34 F6 N7 O4 P Ru S2
• Calculated formula: C32 H34 F6 N7 O4 P Ru S2
• Title of publication: Electrocatalytic Water Oxidation by heteroleptic Ruthenium complexes of 2,6-bis(benzimidazolyl) pyridine Scaffold: A mechanistic investigation
• Authors of publication: Khan, Sahanwaj; Sengupta, Swaraj; Khan, Mohammad adnan; Sk, Md Palashuddin; Naskar, Subhendu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.0563 ± 0.0008 Å
• b: 20.5315 ± 0.0013 Å
• c: 15.021 ± 0.002 Å
• α: 90°
• β: 91.989 ± 0.008°
• γ: 90°
• Cell volume: 3407.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 8
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No