Information card for entry 4318208

Structure parameters

• Formula: C63 H55 Au3 B Cl6 F4 P3 S2
• Calculated formula: C63 H55 Au3 B Cl6 F4 P3 S2
• Title of publication: Aurophilicity-Based One-Dimensional Arrays of Gold(I) Phenylene-1,3- and -1,4-dithiolates
• Authors of publication: Hendrik Ehlich; Annette Schier; Hubert Schmidbaur
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3721 - 3727
• a: 12.8733 ± 0.0001 Å
• b: 28.1979 ± 0.0003 Å
• c: 17.6585 ± 0.0001 Å
• α: 90°
• β: 93.521 ± 0.001°
• γ: 90°
• Cell volume: 6397.94 ± 0.09 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No