Information card for entry 7233928

Structure parameters

• Formula: C36 H24 Cu2 N4 O4
• Calculated formula: C36 H24 Cu2 N4 O4
• 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: 10.6258 ± 0.0012 Å
• b: 8.5953 ± 0.001 Å
• c: 15.2192 ± 0.0017 Å
• α: 90°
• β: 102.317 ± 0.002°
• γ: 90°
• Cell volume: 1358 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No