Information card for entry 7033575

Structure parameters

• Common name: em12rd85 THF/Hex
• Formula: C44 H10 Au2 Cl20 N2 Tl2
• Calculated formula: C44 H10 Au2 Cl20 N2 Tl2
• 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: 14.4453 ± 0.0004 Å
• b: 11.1637 ± 0.0002 Å
• c: 16.9059 ± 0.0004 Å
• α: 90°
• β: 102.438 ± 0.001°
• γ: 90°
• Cell volume: 2662.31 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No