Information card for entry 4073749

Structure parameters

• Formula: C23 H24 Au F6 N3 O4 S2
• Calculated formula: C23 H24 Au F6 N3 O4 S2
• SMILES: [Au](N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Reactivity of Air-Stable N-Heterocyclic Carbene Gold(I) Bis(trifluoromethanesulfonyl)imidate Complexes
• Authors of publication: Ricard, Louis; Gagosz, Fabien
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4704
• a: 11.823 ± 0.001 Å
• b: 15.867 ± 0.001 Å
• c: 15.496 ± 0.001 Å
• α: 90°
• β: 108.201 ± 0.001°
• γ: 90°
• Cell volume: 2761.5 ± 0.3 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 7
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No