Information card for entry 4066526

Structure parameters

• Formula: C23 H22 Au Cl N2
• Calculated formula: C23 H22 Au Cl N2
• SMILES: [Au](Cl)=C1N(c2ccccc2N1[C@H](c1ccccc1)C)[C@H](c1ccccc1)C
• 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: 9.321 ± 0.002 Å
• b: 9.326 ± 0.002 Å
• c: 11.811 ± 0.003 Å
• α: 90°
• β: 105.639 ± 0.003°
• γ: 90°
• Cell volume: 988.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No