Information card for entry 1572739

Structure parameters

• Formula: C37 H36 Au B Cl2 F4 N4
• Calculated formula: C37 H36 Au B Cl2 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: 9.5527 ± 0.0012 Å
• b: 13.7464 ± 0.0017 Å
• c: 14.2095 ± 0.0015 Å
• α: 77.893 ± 0.003°
• β: 80.575 ± 0.003°
• γ: 80.828 ± 0.003°
• Cell volume: 1784.6 ± 0.4 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: 0.0878
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No