Information card for entry 1568582

Structure parameters

• Formula: C63 H50 Cu F3 N2 O3 P2 S
• Calculated formula: C63 H50 Cu F3 N2 O3 P2 S
• Title of publication: Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency
• Authors of publication: Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor
• Journal of publication: Catalysts
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 386
• a: 15.2564 ± 0.001 Å
• b: 16.0253 ± 0.0011 Å
• c: 23.0757 ± 0.0015 Å
• α: 90.355 ± 0.003°
• β: 93.137 ± 0.003°
• γ: 98.235 ± 0.003°
• Cell volume: 5574.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No