Information card for entry 1520545

Structure parameters

• Formula: C56 H40 Au6 Br2 F18 O2 P2
• Calculated formula: C56 H40 Au6 Br2 F18 O2 P2
• SMILES: [Au]12([Au]([Au]([Au]3([Au]([Au]1([Br]3)C(F)(F)F)(C(F)(F)F)C#[O])C(F)(F)F)([Br]2)C(F)(F)F)(C(F)(F)F)C#[O])C(F)(F)F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[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: 11.61 ± 0.0003 Å
• b: 23.9064 ± 0.0007 Å
• c: 11.1568 ± 0.0003 Å
• α: 90°
• β: 97.975 ± 0.003°
• γ: 90°
• Cell volume: 3066.66 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No