Information card for entry 7132007

Structure parameters

• Formula: C47 H36 Cu F10 N4 Si2
• Calculated formula: C42 H26 Cu F10 N4 Si2
• 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: 24.2143 ± 0.0018 Å
• b: 6.3478 ± 0.0006 Å
• c: 29.627 ± 0.002 Å
• α: 90°
• β: 108.824 ± 0.008°
• γ: 90°
• Cell volume: 4310.3 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No