Information card for entry 4088292

Structure parameters

• Formula: C16 H17 N O2 Pt S
• Calculated formula: C16 H17 N O2 Pt S
• SMILES: [Pt]12(=C3SC(C)=C(N3c3c2cccc3)C)OC(=CC(=[O]1)C)C
• Title of publication: Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes
• Authors of publication: Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 959
• a: 18.113 ± 0.004 Å
• b: 7.729 ± 0.0015 Å
• c: 22.149 ± 0.004 Å
• α: 90°
• β: 100.57 ± 0.03°
• γ: 90°
• Cell volume: 3048.1 ± 1.1 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No