Information card for entry 7117237

Structure parameters

• Formula: C69 H65 Au2 F6 N P Sb
• Calculated formula: C69 H65 Au2 F6 N P Sb
• 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: 16.83401 ± 0.00014 Å
• b: 18.4515 ± 0.00017 Å
• c: 19.639 ± 0.00017 Å
• α: 90°
• β: 100.054 ± 0.0008°
• γ: 90°
• Cell volume: 6006.44 ± 0.09 ų
• Cell temperature: 110 ± 0.14 K
• Ambient diffraction temperature: 110 ± 0.14 K
• Number of distinct elements: 7
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No