Information card for entry 4347846

Structure parameters

• Formula: C22 H12 F5 N2 Pt S Tl
• Calculated formula: C22 H12 F5 N2 Pt S Tl
• SMILES: [Pt]12([Tl][n]3c(S1)cccc3)([n]1c(c3c2cccc3)cccc1)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Binuclear Complexes and Extended Chains Featuring Pt(II)-Tl(I) Bonds: Influence of the Pyridine-2-Thiolate and Cyclometalated Ligands on the Self-Assembly and Luminescent Behavior.
• Authors of publication: Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio; Shahsavari, Hamid R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 7866 - 7878
• a: 11.4566 ± 0.0002 Å
• b: 9.4566 ± 0.0002 Å
• c: 18.9883 ± 0.0004 Å
• α: 90°
• β: 93.908 ± 0.002°
• γ: 90°
• Cell volume: 2052.42 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No