Information card for entry 7042665

Structure parameters

• Chemical name: Cu(III)-5,15-(m-nitrophenyl)-10-(p-dimethylamino-phenyl)corrole
• Formula: C46 H34 Cu N7 O4
• Calculated formula: C46 H34 Cu N7 O4
• Title of publication: Cu(III)Triarylcorroles with Asymmetric Push-Pull meso-Substitutions: Tunable Molecular Electrochemically Catalyzed Hydrogen Evolution
• Authors of publication: Liang, Xu; Niu, Yingjie; Zhang, Qianchong; Mack, John; Yi, Xiao-Yi; Hlatshwayo, Zweli; Nyokong, Tebello; Li, Minzhi; Zhu, Weihua
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.525 ± 0.002 Å
• b: 12.695 ± 0.004 Å
• c: 18.656 ± 0.005 Å
• α: 71.592 ± 0.014°
• β: 82.114 ± 0.014°
• γ: 80.691 ± 0.015°
• Cell volume: 1882.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1865
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No