Information card for entry 4348866

Structure parameters

• Common name: dpg49re228
• Formula: C21 H10 Au B Cl4 F6 N6 Pb
• Calculated formula: C21 H10 Au B Cl4 F6 N6 Pb
• SMILES: c1(c(c(c(c(c1F)Cl)F)Cl)F)[Au](c1c(c(c(c(c1F)Cl)F)Cl)F)[Pb]12[n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21
• 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: 26.1538 ± 0.0012 Å
• b: 15.0817 ± 0.0007 Å
• c: 18.841 ± 0.0008 Å
• α: 90°
• β: 132.819 ± 0.002°
• γ: 90°
• Cell volume: 5451.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No