Information card for entry 7061086

Structure parameters

• Formula: C13 H12 Cl F2 N O Pt S
• Calculated formula: C13 H12 Cl F2 N O Pt S
• SMILES: [Pt]1(c2cc(F)cc(F)c2c2[n]1cccc2)(Cl)[S](=O)(C)C
• Title of publication: The impact of cyclometalated and phosphine ligands on the luminescence properties of cycloplatinated(ii) complexes: photophysical and theoretical investigations
• Authors of publication: Shahsavari, Hamid R.; Paziresh, Sareh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 22732 - 22740
• a: 7.115 ± 0.0014 Å
• b: 10.484 ± 0.002 Å
• c: 10.9 ± 0.002 Å
• α: 63.89 ± 0.03°
• β: 72.81 ± 0.03°
• γ: 77.2 ± 0.03°
• Cell volume: 693.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No