Information card for entry 7133985

Structure parameters

• Formula: C54 H82.2 Cl3 Co2 N8 O25.58
• Calculated formula: C54 H73 Cl3 Co2 N8 O20.98
• Title of publication: Structural and Reactivity Insights into High-Valent Co(III)-(μ-peroxo)-Co(IV) and Its Electromer Co(III)-(μ-superoxo)-Co(III)
• Authors of publication: Sharma, Parkhi; Gupta, Sikha; Kumar, Rakesh; Charisiadis, Asterios; Sauvan, Maxime; Velasco, Lucia; Saini, Abhishek; Moonshiram, Dooshaye; Draksharapu, Apparao
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 15.9896 ± 0.0006 Å
• b: 22.9608 ± 0.0008 Å
• c: 17.9997 ± 0.0007 Å
• α: 90°
• β: 98.952 ± 0.001°
• γ: 90°
• Cell volume: 6527.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No