Information card for entry 1520543

Structure parameters

• Formula: C25 H20 Au Br F3 P
• Calculated formula: C25 H20 Au Br F3 P
• SMILES: [Au](Br)C(F)(F)F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A hexanuclear gold carbonyl cluster
• Authors of publication: Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5506
• a: 8.3781 ± 0.0002 Å
• b: 14.3827 ± 0.0002 Å
• c: 19.3153 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327.49 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No