Information card for entry 4066614

Structure parameters

• Common name: in manuscript 2b
• Formula: C13 H16 Au Cl3 N2
• Calculated formula: C13 H16 Au Cl3 N2
• SMILES: [Au](Cl)(Cl)(Cl)=C1N(C=CN1c1c(cc(cc1C)C)C)C
• Title of publication: Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis
• Authors of publication: Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4448 - 4458
• a: 8.382 ± 0.003 Å
• b: 13.732 ± 0.004 Å
• c: 28.061 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3229.9 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No