Information card for entry 7707691

Structure parameters

• Formula: C11 H15 F6 N P S3 Tl
• Calculated formula: C11 H15 F6 N P S3 Tl
• SMILES: [Tl]12[S]3Cc4[n]2c(CSCC[S]1CC3)ccc4.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.9876 ± 0.0004 Å
• b: 15.7182 ± 0.0004 Å
• c: 16.7412 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3417.58 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No