Information card for entry 4066608

Structure parameters

• Common name: in manuscript ligand L2c
• Formula: C19 H24 I N3 O
• Calculated formula: C19 H24 I N3 O
• SMILES: c1n(cc[n+]1CCc1ncccc1)c1c(cc(cc1C)C)C.[I-].O
• 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: 8.276 ± 0.0001 Å
• b: 10.122 ± 0.0001 Å
• c: 22.9684 ± 0.0003 Å
• α: 90°
• β: 95.161 ± 0.001°
• γ: 90°
• Cell volume: 1916.25 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No