Information card for entry 7227530

Structure parameters

• Formula: C49 H22 Co F15 N6 O2
• Calculated formula: C49 H22 Co F15 N6 O2
• Title of publication: The effect of the trans axial ligand of cobalt corroles on water oxidation activity in neutral aqueous solutions.
• Authors of publication: Xu, Liang; Lei, Haitao; Zhang, Zongyao; Yao, Zhen; Li, Jianfeng; Yu, Zhiyong; Cao, Rui
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 9755 - 9761
• a: 30.225 ± 0.003 Å
• b: 16.6117 ± 0.0011 Å
• c: 31.83 ± 0.002 Å
• α: 90°
• β: 116.663 ± 0.004°
• γ: 90°
• Cell volume: 14282 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No