Information card for entry 4343028

Structure parameters

• Formula: C48 H36 F12 N8 Ni O16 S4
• Calculated formula: C48 H36 F12 N8 Ni O16 S4
• Title of publication: Electrocatalytic Water Oxidation by a Water-Soluble Nickel Porphyrin Complex at Neutral pH with Low Overpotential.
• Authors of publication: Han, Yongzhen; Wu, Yizhen; Lai, Wenzhen; Cao, Rui
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5604 - 5613
• a: 28.1801 ± 0.0016 Å
• b: 6.4192 ± 0.0004 Å
• c: 31.7478 ± 0.0017 Å
• α: 90°
• β: 101.989 ± 0.003°
• γ: 90°
• Cell volume: 5617.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No