Information card for entry 7041974

Structure parameters

• Formula: C58 H74 Au B N6
• Calculated formula: C58 H74 Au B N6
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1(N(C=CN1C1CCCCC1)C1CCCCC1)=[Au]=C1N(C=CN1C1CCCCC1)C1CCCCC1.N#CC.N#CC
• 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: 19.8465 ± 0.0007 Å
• b: 12.1654 ± 0.0003 Å
• c: 24.9606 ± 0.001 Å
• α: 90°
• β: 115.822 ± 0.005°
• γ: 90°
• Cell volume: 5424.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No