Information card for entry 4066621

Structure parameters

• Common name: in manuscript 4a
• Formula: C28 H31 Au Cl4 N2
• Calculated formula: C28 H31 Au Cl4 N2
• SMILES: [Au](Cl)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1.C(Cl)Cl
• 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: 23.8356 ± 0.0001 Å
• b: 23.8356 ± 0.0001 Å
• c: 29.0459 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14291.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No