Information card for entry 4307427

Structure parameters

• Formula: C17 H19 Au Cl F6 N3 O7 S2
• Calculated formula: C17 H19 Au Cl F6 N3 O7 S2
• SMILES: [Au]12(Cl)[n]3ccccc3C[NH]1Cc1cccc[n]21.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CC(=O)C
• Title of publication: Amine-Amide Equilibrium in Gold(III) Complexes and a Gold(III)-Gold(I) Aurophilic Bond
• Authors of publication: Lingyun Cao; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1361 - 1368
• a: 8.4086 ± 0.0004 Å
• b: 13.809 ± 0.0007 Å
• c: 22.1926 ± 0.001 Å
• α: 90°
• β: 97.336 ± 0.003°
• γ: 90°
• Cell volume: 2555.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No