Information card for entry 7033737

Structure parameters

• Formula: C12 H14.5 Au N3 O2.25
• Calculated formula: C12 H14 Au N3 O2.25
• Title of publication: 1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.
• Authors of publication: Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15157 - 15165
• a: 9.7892 ± 0.0015 Å
• b: 8.733 ± 0.0014 Å
• c: 16.171 ± 0.002 Å
• α: 90°
• β: 104.757 ± 0.002°
• γ: 90°
• Cell volume: 1336.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No