Information card for entry 7225377

Structure parameters

• Formula: C24 H15 Cl F3 N3 O3 Pt S2
• Calculated formula: C24 H15 Cl F3 N3 O3 Pt S2
• SMILES: [Pt]12(Cl)[n]3c(cccc3)c3cc(cc([n]13)c1cccc[n]21)c1sc2c(c1)cccc2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies
• Authors of publication: Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 29
• Pages of publication: 5528
• a: 16.2788 ± 0.0013 Å
• b: 7.0245 ± 0.0007 Å
• c: 21.716 ± 0.002 Å
• α: 90°
• β: 98.966 ± 0.007°
• γ: 90°
• Cell volume: 2452.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No