Information card for entry 1568581

Structure parameters

• Formula: C63 H52 B Cl2 Cu F4 N2 P2
• Calculated formula: C63 H52 B Cl2 Cu F4 N2 P2
• 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: 17.4954 ± 0.0015 Å
• b: 23.7716 ± 0.0018 Å
• c: 26.188 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10891.4 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No