Information card for entry 7120644

Structure parameters

• Formula: C102 H78 Au9 B3 F12 N6 P6
• Calculated formula: C102 H78 Au9 B3 F12 N6 P6
• SMILES: [Au]12[Au]34[Au]5[n]6c([P]4(c4ccccc4)c4ccccc4)cccc6[Au]4[Au]67[Au]([n]8c([P]6(c6ccccc6)c6ccccc6)cccc28)c2cccc6[P]([Au]8([Au](c9cccc([P]3(c3ccccc3)c3ccccc3)[n]19)[n]26)[Au](c1[n]4c([P]7(c2ccccc2)c2ccccc2)ccc1)[n]1c([P]8(c2ccccc2)c2ccccc2)cccc51)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Intensely luminescent gold(I) phosphinopyridyl clusters: visualization of unsupported aurophilic interactions in solution
• Authors of publication: Lei, Zhen; Zhang, Jin-Yuan; Guan, Zong-Jie; Wang, Quan-Ming
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 24.8293 ± 0.0003 Å
• b: 19.8167 ± 0.0002 Å
• c: 27.5843 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13572.4 ± 0.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No