Information card for entry 7063938

Structure parameters

• Formula: C46 H50 Cl2 N10 O12 S4 Zn
• Calculated formula: C46 H50 Cl2 N10 O12 S4 Zn
• 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: 11.5816 ± 0.0008 Å
• b: 14.6348 ± 0.0017 Å
• c: 17.7481 ± 0.0013 Å
• α: 87.477 ± 0.008°
• β: 76.607 ± 0.006°
• γ: 70.038 ± 0.008°
• Cell volume: 2748.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0924
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No