Information card for entry 7233930

Structure parameters

• Formula: C42 H44.5 F3 N6.5 O6 Pt S
• Calculated formula: C42 H40 F3 N6.5 O6 Pt S
• SMILES: [Pt]12([n]3c(n(c4c3cccc4)CCCC)c3[n]2c(c2[n]1c1ccccc1n2CCCC)ccc3)C#Cc1cc(OC)c(OC)c(OC)c1.N#CC.N#CC.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Electron-transporting phenazinothiadiazoles with engineered microstructure
• Authors of publication: Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 9609 - 9612
• a: 22.367 ± 0.005 Å
• b: 27.369 ± 0.006 Å
• c: 14.946 ± 0.003 Å
• α: 90°
• β: 114.32 ± 0.03°
• γ: 90°
• Cell volume: 8337 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No