Information card for entry 4348865

Structure parameters

• Common name: dpg47re226
• Formula: C21 H10 Au B F10 N6 Pb
• Calculated formula: C21 H10 Au B F10 N6 Pb
• SMILES: [Au]([Pb]12[n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: New Insights into the Au(I)···Pb(II) Closed-Shell Interaction: Tuning of the Emissive Properties with the Intermetallic Distance.
• Authors of publication: Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10523 - 10534
• a: 7.7334 ± 0.0002 Å
• b: 22.8741 ± 0.0009 Å
• c: 13.6999 ± 0.0005 Å
• α: 90°
• β: 93.14 ± 0.002°
• γ: 90°
• Cell volume: 2419.8 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.065
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No