Information card for entry 7707692

Structure parameters

• Formula: C35 H15 Au2 F20 N S3 Tl2
• Calculated formula: C35 H15 Au2 F20 N S3 Tl2
• Title of publication: Luminescent gold-thallium derivatives with a pyridine-containing 12-membered aza-thioether macrocycle.
• Authors of publication: Caddeo, Francesco; Fernández-Moreira, Vanesa; Arca, Massimiliano; Pintus, Anna; Laguna, Antonio; Lippolis, Vito; Gimeno, M Concepción
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 28
• Pages of publication: 9709 - 9718
• a: 15.4455 ± 0.0002 Å
• b: 12.4249 ± 0.0001 Å
• c: 20.2617 ± 0.0002 Å
• α: 90°
• β: 94.541 ± 0.001°
• γ: 90°
• Cell volume: 3876.19 ± 0.07 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: 0.0271
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No