Information card for entry 4066612

Structure parameters

• Common name: in manuscript 1e
• Formula: C18 H19 Au Cl N3
• Calculated formula: C18 H19 Au Cl N3
• SMILES: [Au](Cl)=C1N(C=CN1Cc1ccccn1)c1c(cc(cc1C)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: 9.9142 ± 0.0011 Å
• b: 16.023 ± 0.0017 Å
• c: 11.1007 ± 0.0012 Å
• α: 90°
• β: 93.781 ± 0.002°
• γ: 90°
• Cell volume: 1759.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No