Information card for entry 4064777

Structure parameters

• Formula: C14 H13 Au F3 N O3 S
• Calculated formula: C14 H13 Au F3 N O3 S
• SMILES: [Au]1(c2c(c3[n]1cccc3)ccc(c2)C)(OS(=O)(=O)C(F)(F)F)C
• Title of publication: Synthesis of a Coordinatively Labile Gold(III) Methyl Complex
• Authors of publication: Venugopal, Ajay; Shaw, Anthony P.; Törnroos, Karl W.; Heyn, Richard H.; Tilset, Mats
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3250
• a: 6.8255 ± 0.0003 Å
• b: 15.5573 ± 0.0006 Å
• c: 14.4009 ± 0.0005 Å
• α: 90°
• β: 93.975 ± 0.001°
• γ: 90°
• Cell volume: 1525.5 ± 0.1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0202
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No