Information card for entry 1548162

Structure parameters

• Formula: C81 H65 Au4 B Cl3 F4 N P4
• Calculated formula: C81 H65 Au4 B Cl3 F4 N P4
• SMILES: [Au]1([Au]([N]21C(=C([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc21)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(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: 17.579 ± 0.004 Å
• b: 17.158 ± 0.003 Å
• c: 25.46 ± 0.005 Å
• α: 90°
• β: 101.8 ± 0.03°
• γ: 90°
• Cell volume: 7517 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1437
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.2724
• Weighted residual factors for all reflections included in the refinement: 0.3049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No