Information card for entry 7719168

Structure parameters

• Formula: C49 H50 Co2 F18 N9 O3 P3
• Calculated formula: C49 H50 Co2 F18 N9 O3 P3
• Title of publication: Structural control of μ-hydroxo-μ-peroxodicobalt(III) complex with the 6-hpa dinucleating ligand to enhance O₂-evolution activity in catalytic water oxidation.
• Authors of publication: Tanaka, Yuki; Iwanaga, Osamu; Fujikawa, Kyosuke; Shinomiya, Seina; Kitagishi, Hiroaki; Yanagisawa, Sachiko; Kubo, Minoru; Kambe, Tetsuya; Masaoka, Shigenobu; Kodera, Masahito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 32
• Pages of publication: 12130 - 12134
• a: 10.9897 ± 0.0003 Å
• b: 11.601 ± 0.0004 Å
• c: 22.6406 ± 0.0007 Å
• α: 79.551 ± 0.003°
• β: 76.308 ± 0.003°
• γ: 75.548 ± 0.003°
• Cell volume: 2692.68 ± 0.15 ų
• Cell temperature: 102.94 ± 0.19 K
• Ambient diffraction temperature: 102.94 ± 0.19 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: 0.1105
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2326
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No