Information card for entry 7130216

Structure parameters

• Formula: C30 H28 Au Cl4 N
• Calculated formula: C30 H28 Au Cl4 N
• Title of publication: Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway
• Authors of publication: Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.2539 ± 0.0004 Å
• b: 12.548 ± 0.0003 Å
• c: 27.7949 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5668.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No