Information card for entry 4073750

Structure parameters

• Formula: C25 H32 Au F6 N3 O4 S2
• Calculated formula: C25 H32 Au F6 N3 O4 S2
• SMILES: [Au](N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)=C1N(C=CN1C12CC3CC(CC(C3)C2)C1)C12CC3CC(CC(C1)C3)C2
• 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: 6.767 ± 0.001 Å
• b: 9.402 ± 0.001 Å
• c: 22.272 ± 0.001 Å
• α: 93.184 ± 0.001°
• β: 94.124 ± 0.001°
• γ: 93.031 ± 0.001°
• Cell volume: 1408.9 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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 all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No