Information card for entry 4307422

Structure parameters

• Formula: C20 H23 Au Cl3 N3
• Calculated formula: C20 H23 Au Cl3 N3
• SMILES: [Au](Cl)[Cl-].[Cl-].N(Cc1ccc(cc1)C)(Cc1[nH+]cccc1)Cc1[nH+]cccc1
• Title of publication: Amine-Amide Equilibrium in Gold(III) Complexes and a Gold(III)-Gold(I) Aurophilic Bond
• Authors of publication: Lingyun Cao; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1361 - 1368
• a: 7.1396 ± 0.0004 Å
• b: 12.0281 ± 0.0009 Å
• c: 14.1127 ± 0.001 Å
• α: 69.675 ± 0.004°
• β: 85.958 ± 0.003°
• γ: 82.756 ± 0.003°
• Cell volume: 1126.95 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1001
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No