Information card for entry 4089106

Structure parameters

• Formula: C26.5 H25 Cl N2 O Pt S
• Calculated formula: C26.5 H25 Cl N2 O Pt S
• SMILES: [Pt]12(=C3SC(=C(N3c3c2cccc3)C)C)OC(=CC(=[N]1c1cccc2c1cccc2)C)C.ClCCl
• 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: 8.621 ± 0.0003 Å
• b: 16.239 ± 0.003 Å
• c: 18.505 ± 0.005 Å
• α: 68.191 ± 0.013°
• β: 78.344 ± 0.01°
• γ: 88.468 ± 0.008°
• Cell volume: 2352.3 ± 0.8 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No