Information card for entry 4065794

Structure parameters

• Formula: C14 H28 Au N4 Na3 O16 S4
• Calculated formula: C14 H28 Au N4 Na3 O16 S4
• SMILES: C1(N(C=CN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])=[Au]=C1N(C=CN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].O.O.[Na+].[Na+].O.O.[Na+]
• Title of publication: Novel Sulfonated N-Heterocyclic Carbene Gold(I) Complexes: Homogeneous Gold Catalysis for the Hydration of Terminal Alkynes in Aqueous Media
• Authors of publication: Almássy, Ambroz; Nagy, Csilla E.; Bényei, Attila C.; Joó, Ferenc
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2484
• a: 5.5943 ± 0.001 Å
• b: 9.6469 ± 0.001 Å
• c: 13.5881 ± 0.001 Å
• α: 105.027 ± 0.01°
• β: 97.045 ± 0.01°
• γ: 95.592 ± 0.01°
• Cell volume: 696.47 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No