Information card for entry 4307426

Structure parameters

• Formula: C12 H12 Au2 Cl3 N3
• Calculated formula: C12 H12 Au2 Cl3 N3
• SMILES: [Au]12(Cl)[n]3ccccc3CN1Cc1cccc[n]21.[Au](Cl)[Cl-]
• 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: 7.4839 ± 0.0003 Å
• b: 19.8209 ± 0.0007 Å
• c: 10.7631 ± 0.0004 Å
• α: 90°
• β: 95.441 ± 0.002°
• γ: 90°
• Cell volume: 1589.38 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No