Information card for entry 2023214

Structure parameters

• Chemical name: Trichlorido(2-methylpyridine-κ<i>N</i>)gold(III)
• Formula: C6 H7 Au Cl3 N
• Calculated formula: C6 H7 Au Cl3 N
• SMILES: [Au](Cl)(Cl)(Cl)[n]1c(cccc1)C
• Title of publication: Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)
• Authors of publication: Döring, Cindy; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• Pages of publication: 894 - 909
• a: 7.6852 ± 0.0007 Å
• b: 14.3992 ± 0.0012 Å
• c: 8.7963 ± 0.0007 Å
• α: 90°
• β: 95.86 ± 0.008°
• γ: 90°
• Cell volume: 968.32 ± 0.14 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: 0.0314
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No