Information card for entry 7233926

Structure parameters

• Formula: C86 H87 B Cr F24 N5 O2
• Calculated formula: C86 H87 B Cr F24 N5 O2
• 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: 13.6274 ± 0.0004 Å
• b: 18.3852 ± 0.0006 Å
• c: 18.7086 ± 0.0006 Å
• α: 106.273 ± 0.004°
• β: 100.944 ± 0.004°
• γ: 96.639 ± 0.004°
• Cell volume: 4346.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No