Information card for entry 7712894

Structure parameters

• Chemical name: Ru_LL_1
• Formula: C28 H32 Cl N7 O12 Ru S2
• Calculated formula: C28 H32 Cl N7 O12 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: 10.753 ± 0.0002 Å
• b: 12.5652 ± 0.0004 Å
• c: 14.8182 ± 0.0005 Å
• α: 74.414 ± 0.003°
• β: 72.884 ± 0.002°
• γ: 74.855 ± 0.002°
• Cell volume: 1806.65 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.0393
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No