Information card for entry 7703541

Structure parameters

• Formula: C7 H12 Au Cl5 N2
• Calculated formula: C7 H12 Au Cl5 N2
• SMILES: [Au](=C1N(CC)[C@@H](Cl)[C@H](Cl)N1CC)(Cl)(Cl)Cl.[Au](=C1N(CC)[C@H](Cl)[C@@H](Cl)N1CC)(Cl)(Cl)Cl
• 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: 19.531 ± 0.0011 Å
• b: 19.531 ± 0.0011 Å
• c: 7.6932 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2934.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No