Information card for entry 2023217

Structure parameters

• Chemical name: Tribromido(3-methylpyridine-κ<i>N</i>)gold(III)
• Formula: C6 H7 Au Br3 N
• Calculated formula: C6 H7 Au Br3 N
• SMILES: [Au](Br)(Br)(Br)[n]1cc(ccc1)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: 18.6763 ± 0.0006 Å
• b: 6.78409 ± 0.00014 Å
• c: 18.4807 ± 0.0005 Å
• α: 90°
• β: 118.887 ± 0.004°
• γ: 90°
• Cell volume: 2050.19 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No