Information card for entry 7061087

Structure parameters

• Formula: C29 H21 Cl F2 N P Pt
• Calculated formula: C29 H21 Cl F2 N P Pt
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pt]1(c2c(c3cccc[n]13)c(cc(c2)F)F)Cl
• 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: 9.7226 ± 0.0019 Å
• b: 11.775 ± 0.002 Å
• c: 11.78 ± 0.002 Å
• α: 77 ± 0.03°
• β: 88.08 ± 0.03°
• γ: 68.76 ± 0.03°
• Cell volume: 1223.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.074
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No