Information card for entry 7063713

Structure parameters

• Formula: C42 H30 Cl2 Co F2 N6 O5
• Calculated formula: C42 H30 Cl2 Co F2 N6 O5
• 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: 8.932 ± 0.0007 Å
• b: 10.3376 ± 0.0008 Å
• c: 21.3919 ± 0.0016 Å
• α: 85.981 ± 0.006°
• β: 78.249 ± 0.006°
• γ: 74.246 ± 0.007°
• Cell volume: 1861 ± 0.3 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: 0.0722
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No