Information card for entry 1572743

Structure parameters

• Formula: C62 H73 B6 F24 N13
• Calculated formula: C62 H73 B6 F24 N13
• 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: 14.84 ± 0.02 Å
• b: 15.5 ± 0.02 Å
• c: 16.5 ± 0.03 Å
• α: 95.25 ± 0.04°
• β: 99.16 ± 0.04°
• γ: 108.37 ± 0.03°
• Cell volume: 3515 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No