Information card for entry 7132008

Structure parameters

• Formula: C44 H18 Cu F10 N4
• Calculated formula: C44 H18 Cu F10 N4
• Title of publication: Electrocatalytic hydrogen evolution media with a copper porphyrin bearing meso-(o-carborane) substituents
• Authors of publication: Peng, Xinyang; Han, Jinxiu; Li, Xialiang; Liu, Guijun; Xu, Yuhan; Peng, Yuxin; Nie, Shuai; Li, Wenzi; Li, Xinrui; Chen, Zhuo; Peng, Haonan; Cao, Rui; Fang, Yu
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 15.085 ± 0.004 Å
• b: 9.9686 ± 0.0017 Å
• c: 12.308 ± 0.003 Å
• α: 90°
• β: 111.988 ± 0.012°
• γ: 90°
• Cell volume: 1716.2 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No