Information card for entry 1569606

Structure parameters

• Formula: C67 H56 Cu F6 N2 O3 P3
• Calculated formula: C67 H56 Cu F6 N2 O3 P3
• Title of publication: Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes
• Authors of publication: Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4092 - 4106
• a: 12.8402 ± 0.0002 Å
• b: 19.2826 ± 0.0003 Å
• c: 25.7915 ± 0.0003 Å
• α: 90°
• β: 101.171 ± 0.001°
• γ: 90°
• Cell volume: 6264.79 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No