Information card for entry 7039684

Structure parameters

• Formula: C12 H21 Au Cl N3 O2
• Calculated formula: C12 H21 Au Cl N3 O2
• SMILES: [Au](Cl)c1c(C(C)(C)OC(=O)C)[n+](nn1CCCC)C
• Title of publication: Synthesis and catalytic applications of 1,2,3-triazolylidene gold(i) complexes in silver-free oxazoline syntheses and C-H bond activation.
• Authors of publication: Pretorius, René; Fructos, Manuel R.; Müller-Bunz, Helge; Gossage, Robert A.; Pérez, Pedro J; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14591 - 14602
• a: 13.0817 ± 0.0002 Å
• b: 9.70652 ± 0.00012 Å
• c: 12.2839 ± 0.0002 Å
• α: 90°
• β: 100.139 ± 0.0013°
• γ: 90°
• Cell volume: 1535.42 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No