Information card for entry 1513271

Structure parameters

• Formula: C64 H80 Cu N8 O8
• Calculated formula: C64 H80 Cu N8 O8
• SMILES: c12c3c(c4=Nc5c6c(c7N=c8c9c(c%10N=c%11c%12c(c(=N2)n%11[Cu]([n]14)([n]8%10)n57)c(ccc%12OCCCC)OCCCC)c(ccc9OCCCC)OCCCC)c(ccc6OCCCC)OCCCC)c(ccc3OCCCC)OCCCC
• Title of publication: Solution-Processed Microwires of Phthalocyanine Copper(II) Derivative with Excellent Conductivity
• Authors of publication: Zhang, Yu; Zhang, Zuolun; Zhao, Yunfeng; Fan, Yan; Tong, Tianjian; Zhang, Hongyu; Wang, Yue
• Journal of publication: Langmuir
• Year of publication: 2009
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 6045 - 6048
• a: 13.727 ± 0.003 Å
• b: 26.661 ± 0.005 Å
• c: 16.663 ± 0.003 Å
• α: 90°
• β: 101.32 ± 0.03°
• γ: 90°
• Cell volume: 5980 ± 2 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: 0.2664
• Residual factor for significantly intense reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No