Information card for entry 7711374

Structure parameters

• Formula: C21 H15 Cl3 N2 Pt S
• Calculated formula: C21 H15 Cl3 N2 Pt S
• SMILES: [Pt]12(c3c(scc3)c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1)Cl.ClCCl
• Title of publication: Isoelectronic Pt(II) Complexes of Cyclometalating C^N^N Ligands with Phenyl/(Benzo)thiophenyl and Pyridyl/(Benzo)thiazolyl Moieties
• Authors of publication: Krause, Maren; Friedel, Joshua; Buss, Stefan; Bruenkink, Dana; Berger, Annemarie; Strassert, Cristian Alejandro; Doltsinis, Nikos; Klein, Axel
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.9533 ± 0.0007 Å
• b: 9.8707 ± 0.0008 Å
• c: 14.3097 ± 0.0011 Å
• α: 102.887 ± 0.006°
• β: 103.515 ± 0.006°
• γ: 102.96 ± 0.006°
• Cell volume: 1018.48 ± 0.16 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No