Information card for entry 7201413

Structure parameters

• Common name: C6-CuTPz
• Chemical name: C6-CuTPz
• Formula: C48 H56 Cu N8 S4
• Calculated formula: C48 H56 Cu N8 S4
• Title of publication: 5-Hexylthiophene-fused porphyrazines: new soluble phthalocyanines for solution-processed organic electronic devices
• Authors of publication: Miyazaki, Eigo; Kaku, Ayaka; Mori, Hiroki; Iwatani, Masahito; Takimiya, Kazuo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 33
• Pages of publication: 5913
• a: 17.173 ± 0.008 Å
• b: 6.043 ± 0.003 Å
• c: 22.627 ± 0.013 Å
• α: 90°
• β: 103.433 ± 0.018°
• γ: 90°
• Cell volume: 2284 ± 2 ų
• Cell temperature: 100.2 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: 0.2808
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.658
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No