Information card for entry 4347852

Structure parameters

• Formula: C29 H26 F N O2 Pt S2
• Calculated formula: C29 H26 F N O2 Pt S2
• SMILES: [Pt]12(c3cc(sc3c3[n]1cc(c1ccc(F)cc1)c1c3CCC1)c1sc(CC)cc1)OC(=CC(=[O]2)C)C
• Title of publication: Modulation of Intersystem Crossing Rate by Minor Ligand Modifications in Cyclometalated Platinum(II) Complexes.
• Authors of publication: Shafikov, Marsel Z.; Kozhevnikov, Dmitry N.; Bodensteiner, Michael; Brandl, Fabian; Czerwieniec, Rafał
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7457 - 7466
• a: 20.6742 ± 0.0005 Å
• b: 17.3852 ± 0.0004 Å
• c: 7.07539 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2543.07 ± 0.1 ų
• Cell temperature: 123 ± 0.14 K
• Ambient diffraction temperature: 123 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No