Information card for entry 1572740

Structure parameters

• Formula: C31 H35 Au B Cl3 F4 N4
• Calculated formula: C31 H35 Au B Cl3 F4 N4
• Title of publication: CCC–NHC Au(III) Pincer Complexes as a Reliable Platform for Isolating Elusive Species
• Authors of publication: Valdés, Hugo; Alpuente, Nora; Salvador Sedano, Pedro; Hashmi, Stephen; Ribas, Xavi
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.008 ± 0.0004 Å
• b: 10.3247 ± 0.0004 Å
• c: 16.4908 ± 0.0006 Å
• α: 86.08 ± 0.001°
• β: 89.998 ± 0.001°
• γ: 69.301 ± 0.001°
• Cell volume: 1589.73 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No