Information card for entry 7132787

Structure parameters

• Formula: C76 H65 Cu2 N20 O16.5
• Calculated formula: C76 H65.0008 Cu2 N20 O16.5
• Title of publication: Supramolecular assemblies of Cu(II) with a tetraphenylethene-imidazole ligand for tuning photocatalytic CO₂ reduction.
• Authors of publication: Qiu, Zhao-Feng; Wang, Peng; Zhang, Xiao-Yu; Chen, Jia-Qi; Zhang, Kai-Yang; Lu, Xiang-Yu; Zhao, Yue; Sun, Wei-Yin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 16
• Pages of publication: 2204 - 2207
• a: 19.7601 ± 0.0008 Å
• b: 19.7601 ± 0.0008 Å
• c: 19.9303 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7782 ± 0.6 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No