Information card for entry 4089105

Structure parameters

• Formula: C22 H22 N2 O Pt S
• Calculated formula: C22 H22 N2 O Pt S
• SMILES: [Pt]12(=C3SC(=C(N3c3c2cccc3)C)C)OC(=CC(=[N]1c1ccccc1)C)C
• Title of publication: Phosphorescent Thiazol-2-ylidene Platinum(II) Complexes with β-Ketoiminates: Single Isomer Formation by Ligand Architecture
• Authors of publication: Leopold, Hendrik; Strassner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 24
• Pages of publication: 4050
• a: 8.9496 ± 0.0018 Å
• b: 18.124 ± 0.004 Å
• c: 11.871 ± 0.002 Å
• α: 90°
• β: 94.78 ± 0.03°
• γ: 90°
• Cell volume: 1918.8 ± 0.7 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: 0.0532
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No