Information card for entry 7033576

Structure parameters

• Formula: C64 H24 Au2 F20 N4 Tl2
• Calculated formula: C64 H24 Au2 F20 N4 Tl2
• SMILES: c1(c(F)c(c(c(c1F)F)F)F)[Au]c1c(F)c(F)c(F)c(c1F)F.[Tl+].n1ccccc1C#Cc1ccc(cc1)C#Cc1ncccc1
• Title of publication: 1,4-Bis(2'-pyridylethynyl)benzene as a ligand in heteronuclear gold-thallium complexes. Influence of the ancillary ligands on their optical properties.
• Authors of publication: Arca, Massimiliano; Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6719 - 6730
• a: 11.7559 ± 0.0003 Å
• b: 20.7957 ± 0.0003 Å
• c: 12.7198 ± 0.0005 Å
• α: 90°
• β: 115.883 ± 0.004°
• γ: 90°
• Cell volume: 2797.7 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No