Information card for entry 4508608

Structure parameters

• Formula: C14.5 H20 Au Cl3 N3 O3.5 S
• Calculated formula: C14.5 H20 Au Cl3 N3 O3.5 S
• Title of publication: Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones
• Authors of publication: Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio
• Journal of publication: ACS Catalysis
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 3086
• a: 24.0394 ± 0.0005 Å
• b: 8.8925 ± 0.0001 Å
• c: 21.0847 ± 0.0004 Å
• α: 90°
• β: 116.022 ± 0.002°
• γ: 90°
• Cell volume: 4050.36 ± 0.14 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No