Information card for entry 1548163

Structure parameters

• Formula: C69 H55 Au3 B Cl3 F4 N P3
• Calculated formula: C69 H55 Au3 B Cl3 F4 N P3
• SMILES: [Au]([N]([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C#Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums
• Authors of publication: Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 11489
• a: 17.519 ± 0.004 Å
• b: 19.67 ± 0.004 Å
• c: 20.326 ± 0.004 Å
• α: 76.07 ± 0.03°
• β: 81.79 ± 0.03°
• γ: 72.44 ± 0.03°
• Cell volume: 6463 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No