Information card for entry 7063937

Structure parameters

• Formula: C69 H63 Cl4.5 Co1.5 N15
• Calculated formula: C69 H63 Cl4.5 Co1.5 N15
• Title of publication: Electrocatalytic proton reduction by mononuclear cobalt complexes of bis(benzimidazolyl)pyridine ligands: experimental and theoretical study
• Authors of publication: Khan, Sahanwaj; Sengupta, Swaraj; Khan, Md. Adnan; Jana, Narayan Ch.; Bagh, Bidraha; Naskar, Subhendu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 16134 - 16144
• a: 34.4966 ± 0.0014 Å
• b: 18.9116 ± 0.0008 Å
• c: 21.5652 ± 0.0007 Å
• α: 90°
• β: 101.994 ± 0.004°
• γ: 90°
• Cell volume: 13761.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No