Information card for entry 7117239

Structure parameters

• Formula: C66 H64 Au3 F6 N2 Sb
• Calculated formula: C66 H64 Au3 F6 N2 Sb
• SMILES: [Au]12([C](#[C]1c1ccccc1)[Au]13c4c(c5cccc(c6c1cc(cc6)C(C)(C)C)[n]35)ccc(c4)C(C)(C)C)[C](#[C]2c1ccccc1)[Au]12c3c(c4cccc(c5c1cc(cc5)C(C)(C)C)[n]24)ccc(c3)C(C)(C)C.F[Sb](F)(F)(F)([F-])F
• Title of publication: Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis
• Authors of publication: Luisa Ciano; Natalie Fey; Connor J. V. Halliday; Jason M. Lynam; Lucy M. Milner; Nimesh Mistry; Natalie E. Pridmore; Nell S. Townsend; Adrian C. Whitwood
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9702
• a: 16.33309 ± 0.00017 Å
• b: 18.64797 ± 0.00016 Å
• c: 18.79354 ± 0.00018 Å
• α: 90°
• β: 91.0581 ± 0.0009°
• γ: 90°
• Cell volume: 5723.14 ± 0.09 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No