Information card for entry 4066525

Structure parameters

• Formula: C19 H22 Au Cl N2
• Calculated formula: C19 H21 Au Cl N2
• SMILES: [Au](Cl)=C1N(CCN1[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
• Title of publication: Preparation and Characterization of Two New N-Heterocyclic Carbene Gold(I) Complexes and Comparison of Their Catalytic Activity to Au(IPr)Cl
• Authors of publication: Gung, Benjamin W.; Bailey, Lauren N.; Craft, Derek T.; Barnes, Charles L.; Kirschbaum, Kristin
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3450
• a: 9.8671 ± 0.0016 Å
• b: 8.2509 ± 0.0012 Å
• c: 12.0106 ± 0.0017 Å
• α: 90°
• β: 109.031 ± 0.003°
• γ: 90°
• Cell volume: 924.4 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No