Information card for entry 4343027

Structure parameters

• Formula: C48 H42 F24 N10 Ni P4
• Calculated formula: C48 H42 F24 N10 Ni P4
• SMILES: c12=C(c3ccc4=C(c5ccc6n5[Ni]5(n2c(=C(c2cc[n+](cc2)C)c2ccc(=C6c6cc[n+](cc6)C)[n]52)cc1)[n]34)c1cc[n+](cc1)C)c1cc[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C.[P](F)(F)(F)(F)(F)[F-].C(#N)C
• 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: 23.9444 ± 0.0008 Å
• b: 19.8831 ± 0.0008 Å
• c: 13.1867 ± 0.0005 Å
• α: 90°
• β: 118.859 ± 0.002°
• γ: 90°
• Cell volume: 5498.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No