Information card for entry 4078793

Structure parameters

• Common name: ItBuAuCl2Ntf2
• Formula: C13 H20 Au Cl2 F6 N3 O4 S2
• Calculated formula: C13 H20 Au Cl2 F6 N3 O4 S2
• SMILES: [Au](=C1N(C=CN1C(C)(C)C)C(C)(C)C)(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(Cl)Cl
• Title of publication: NHC Gold(III) Triflimidate Complexes
• Authors of publication: Jacques, Béatrice; Kirsch, Jonathan; de Frémont, Pierre; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4654
• a: 11.252 ± 0.005 Å
• b: 11.936 ± 0.005 Å
• c: 17.823 ± 0.005 Å
• α: 79.81 ± 0.005°
• β: 82.054 ± 0.005°
• γ: 89.142 ± 0.005°
• Cell volume: 2333.2 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No