Information card for entry 4088294

Structure parameters

• Formula: C17 H19 N O3 Pt S
• Calculated formula: C17 H19 N O3 Pt S
• SMILES: [Pt]12(=C3SC(=C(N3c3c2cc(OC)cc3)C)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: 9.574 ± 0.0019 Å
• b: 7.295 ± 0.0002 Å
• c: 24.706 ± 0.0019 Å
• α: 90°
• β: 105.09 ± 0.01°
• γ: 90°
• Cell volume: 1666 ± 0.4 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No