Information card for entry 1572745

Structure parameters

• Formula: C29 H30 Au B F4 N4 O2
• Calculated formula: C29 H30 Au B F4 N4 O2
• 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: 13.4261 ± 0.0012 Å
• b: 12.5589 ± 0.0009 Å
• c: 16.0123 ± 0.0013 Å
• α: 90°
• β: 90.397 ± 0.003°
• γ: 90°
• Cell volume: 2699.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No