Information card for entry 7160252

Structure parameters

• Common name: 4-AuCl
• Chemical name: 4-AuCl
• Formula: C48 H59 Au Cl O6 P S2
• Calculated formula: C48 H59 Au Cl O6 P S2
• Title of publication: Coordination complexes of P^III-doped heterobuckybowls and their applications in catalysis.
• Authors of publication: Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 665 - 672
• a: 16.731 ± 0.0003 Å
• b: 17.9089 ± 0.0004 Å
• c: 19.0611 ± 0.0003 Å
• α: 106.666 ± 0.0017°
• β: 102.981 ± 0.0016°
• γ: 114.312 ± 0.002°
• Cell volume: 4586 ± 0.2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0486
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No