Information card for entry 7226015

Structure parameters

• Formula: C55 H47 Ag2 Br2 Cl2 P3
• Calculated formula: C55 H47 Ag2 Br2 Cl2 P3
• SMILES: [Ag]1([Br][Ag]([Br]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 16.3137 ± 0.0007 Å
• b: 18.3199 ± 0.0009 Å
• c: 18.585 ± 0.0009 Å
• α: 90°
• β: 111.592 ± 0.001°
• γ: 90°
• Cell volume: 5164.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No