Information card for entry 4081915

Structure parameters

• Formula: C17 H17 Au Cl N3
• Calculated formula: C17 H17 Au Cl N3
• SMILES: n1(n[n+](c(Cc2ccccc2)c1[Au]Cl)C)Cc1ccccc1
• Title of publication: Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity
• Authors of publication: Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7065
• a: 11.0311 ± 0.0007 Å
• b: 8.28 ± 0.0005 Å
• c: 18.3305 ± 0.0011 Å
• α: 90°
• β: 100.237 ± 0.003°
• γ: 90°
• Cell volume: 1647.61 ± 0.18 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No