Information card for entry 7226014

Structure parameters

• Formula: C53 H39 Cl3 Cu2 F12 N2 P2
• Calculated formula: C53 H39 Cl3 Cu2 F12 N2 P2
• Title of publication: Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids
• Authors of publication: Zhang, Songlin; Bie, Wen-Feng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.4553 ± 0.0012 Å
• b: 19.5245 ± 0.0015 Å
• c: 18.3344 ± 0.0015 Å
• α: 90°
• β: 94.601 ± 0.002°
• γ: 90°
• Cell volume: 5157.9 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2509
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No