Information card for entry 7061591

Structure parameters

• Formula: C54 H36 Cl6 Cu3 N8
• Calculated formula: C54 H36 Cl6 Cu3 N8
• Title of publication: Copper(ii) complexes of quinoline-based ligands for efficient photoredox catalysis of atom transfer radical addition (ATRA) reaction
• Authors of publication: Chaibuth, Pawittra; Chuaytanee, Nontakarn; Hojitsiriyanont, Jutawat; Chainok, Kittipong; Wacharasindhu, Sumrit; Reiser, Oliver; Sukwattanasinitt, Mongkol
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 12158 - 12168
• a: 13.9396 ± 0.0018 Å
• b: 15.824 ± 0.002 Å
• c: 16.096 ± 0.002 Å
• α: 111.357 ± 0.004°
• β: 98.835 ± 0.004°
• γ: 115.205 ± 0.004°
• Cell volume: 2783.9 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0631
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No