Information card for entry 7063712

Structure parameters

• Formula: C48.5 H43.5 Cl3 Co N6 O14.25
• Calculated formula: C48 H42.5 Cl2 Co N6 O14.25
• Title of publication: Electrocatalytic water oxidation by molecular cobalt-terpyridine complexes in alkaline medium: experimental and theoretical study
• Authors of publication: Khan, Md. Adnan; Khan, Sahanwaj; Sengupta, Swaraj; Naskar, Subhendu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 6963 - 6974
• a: 9.3891 ± 0.0002 Å
• b: 12.847 ± 0.0003 Å
• c: 20.7104 ± 0.0005 Å
• α: 91.549 ± 0.002°
• β: 100.772 ± 0.002°
• γ: 105.942 ± 0.002°
• Cell volume: 2351.59 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No