Information card for entry 7712895

Structure parameters

• Formula: C28 H26 F6.5 N7 O4 P Ru S2
• Calculated formula: C28 H26 F6.5 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: 11.0467 ± 0.0003 Å
• b: 20.022 ± 0.0007 Å
• c: 14.8502 ± 0.0004 Å
• α: 90°
• β: 92.084 ± 0.003°
• γ: 90°
• Cell volume: 3282.35 ± 0.17 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: 0.0453
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No