Information card for entry 4078536

Structure parameters

• Formula: C23 H29 Au Cl5 N3 O
• Calculated formula: C23 H29 Au Cl5 N3 O
• Title of publication: Cationic Gold Catalysis with Pyridine-Tethered Au(III) NHC-Carbenes: An Experimental and DFT Computational Study
• Authors of publication: Muuronen, Mikko; Perea-Buceta, Jesus E.; Nieger, Martin; Patzschke, Michael; Helaja, Juho
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4320
• a: 16.1402 ± 0.0016 Å
• b: 9.6784 ± 0.0007 Å
• c: 17.5118 ± 0.0005 Å
• α: 90°
• β: 97.745 ± 0.005°
• γ: 90°
• Cell volume: 2710.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No