Information card for entry 7703542

Structure parameters

• Formula: C26 H22 Au Cl N2 O4
• Calculated formula: C26 H22 Au Cl N2 O4
• SMILES: [Au](Cl)=C1N(Cc2cc(C(=O)OC)ccc2c2ccc(cc2)C(=O)OC)C=CN1c1ccccc1
• 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: 8.684 ± 0.002 Å
• b: 20.099 ± 0.005 Å
• c: 13.321 ± 0.003 Å
• α: 90°
• β: 91.35 ± 0.01°
• γ: 90°
• Cell volume: 2324.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.023
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No