Information card for entry 7041972

Structure parameters

• Formula: C66 H68 Au B N4
• Calculated formula: C66 H68 Au B N4
• SMILES: [Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.
• Authors of publication: Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3809 - 3811
• a: 11.79038 ± 0.00016 Å
• b: 13.8657 ± 0.0002 Å
• c: 18.2438 ± 0.0003 Å
• α: 103.527 ± 0.0012°
• β: 93.6234 ± 0.0011°
• γ: 92.6597 ± 0.0011°
• Cell volume: 2888.24 ± 0.08 ų
• Cell temperature: 274 K
• Ambient diffraction temperature: 274 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No