Information card for entry 7703545

Structure parameters

• Formula: C9 H10 Au Cl3 N2
• Calculated formula: C9 H10 Au Cl3 N2
• SMILES: [Au](Cl)(Cl)(Cl)=C1N(C)c2ccccc2N1C
• Title of publication: Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.
• Authors of publication: Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3473 - 3479
• a: 7.793 ± 0.005 Å
• b: 13.984 ± 0.009 Å
• c: 11.539 ± 0.007 Å
• α: 90°
• β: 100.78 ± 0.02°
• γ: 90°
• Cell volume: 1235.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0303
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No