Information card for entry 4081014

Structure parameters

• Common name: IMesAuPyrPF6
• Formula: C26 H29 Au F6 N3 P
• Calculated formula: C26 H29 Au F6 N3 P
• SMILES: [Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes
• Authors of publication: Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4153
• a: 10.839 ± 0.0002 Å
• b: 34.234 ± 0.0007 Å
• c: 15.44 ± 0.0002 Å
• α: 90°
• β: 106.5 ± 0.001°
• γ: 90°
• Cell volume: 5493.27 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No