Information card for entry 7109263

Structure parameters

• Formula: C41 H58 Au Cl6 F3 N4 O3 S
• Calculated formula: C41 H58 Au Cl6 F3 N4 O3 S
• SMILES: [Au](=C1N2CCC[C@@H](CN1c1c(cccc1C(C)C)C(C)C)C2)=C1N2CCC[C@@H](CN1c1c(cccc1C(C)C)C(C)C)C2.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Au](=C1N2CCC[C@H](CN1c1c(cccc1C(C)C)C(C)C)C2)=C1N2CCC[C@H](CN1c1c(cccc1C(C)C)C(C)C)C2.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Anti-Bredt N-heterocyclic carbene: an efficient ligand for the gold(I)-catalyzed hydroamination of terminal alkynes with parent hydrazine
• Authors of publication: Maria J. Lopez-Gomez; David Martin; Guy Bertrand
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4483
• a: 11.8363 ± 0.0011 Å
• b: 13.789 ± 0.0013 Å
• c: 16.121 ± 0.002 Å
• α: 110.596 ± 0.001°
• β: 91.517 ± 0.001°
• γ: 104.583 ± 0.001°
• Cell volume: 2364.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No