Information card for entry 7039683

Structure parameters

• Formula: C7 H13 Au Cl N3
• Calculated formula: C7 H13 Au Cl N3
• SMILES: [Au](Cl)c1cn(CCCC)n[n+]1C
• 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: 5.66636 ± 0.00006 Å
• b: 13.6052 ± 0.0002 Å
• c: 13.6584 ± 0.0002 Å
• α: 82.2181 ± 0.0009°
• β: 78.8756 ± 0.0009°
• γ: 87.9581 ± 0.0008°
• Cell volume: 1023.6 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No