Information card for entry 7225376

Structure parameters

• Formula: C22 H14 Br Cl F3 N3 O3 Pt S
• Calculated formula: C22 H14 Br Cl F3 N3 O3 Pt S
• SMILES: [Pt]12(Cl)[n]3c(cccc3)c3cc(cc([n]13)c1cccc[n]21)c1ccc(Br)cc1.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: 7.4264 ± 0.0004 Å
• b: 21.7744 ± 0.0014 Å
• c: 14.5258 ± 0.0008 Å
• α: 90°
• β: 102.97 ± 0.005°
• γ: 90°
• Cell volume: 2289 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 9
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No