Information card for entry 7041274

Structure parameters

• Formula: C18 H19 Au Cl N3
• Calculated formula: C18 H19 Au Cl N3
• SMILES: [Au](Cl)c1n(n[n+](c1c1ccccc1)C)c1c(C)cc(cc1C)C
• Title of publication: Phosphinines versus mesoionic carbenes: a comparison of structurally related ligands in Au(i)-catalysis.
• Authors of publication: Rigo, Massimo; Hettmanczyk, Lara; Heutz, Frank J. L.; Hohloch, Stephan; Lutz, Martin; Sarkar, Biprajit; Müller, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 86 - 95
• a: 20.988 ± 0.005 Å
• b: 6.425 ± 0.005 Å
• c: 13.166 ± 0.005 Å
• α: 90°
• β: 100.804 ± 0.005°
• γ: 90°
• Cell volume: 1743.9 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No