Information card for entry 7120853

Structure parameters

• Formula: C450 H618 Eu4 N48 S44
• Calculated formula: C450 H618 Eu4 N48 S44
• SMILES: [Eu]123456([n]7c8N=c9n1c(=Nc1[n]3c(=Nc3n2c(N=c7c2c8cc(SCCCCCC)c(SCCCCCC)c2)c2c3cc(SCCCCCC)c(SCCCCCC)c2)c2c1cc(SCCCCCC)c(SCCCCCC)c2)c1c9cc(SCCCCCC)c(SCCCCCC)c1)[n]12[Eu]3789%10([n]%114c4N=c%12[n]53c(=Nc3[n]67c(=Nc1c1cc(SCCCCCC)c(SCCCCCC)cc1c2N=c%11c1cc(SCCCCCC)c(SCCCCCC)cc41)c1c3cc(SCCCCCC)c(SCCCCCC)c1)c1c%12cc(SCCCCCC)c(SCCCCCC)c1)n1c2=Nc3[n]8c(=Nc4n9c(N=c5[n]%10c(N=c1c1c2Cc2c(c6[n]7[Eu]89%10%11%12([n]%13%14c%15N=c%16[n]%178[Eu]8%18%19%20%13(n%13c%21=Nc%22[n]%19c(=Nc%19n%18c(N=c%18[n]8c(N=c%13c8c%21cc(SCCCCCC)c(SCCCCCC)c8)c8cc(SCCCCCC)c(SCCCCCC)cc%188)c8c%19cc(SCCCCCC)c(SCCCCCC)c8)c8cc(SCCCCCC)c(SCCCCCC)cc%228)[n]89c(N=c%17c9c%16cc(SCCCCCC)c(SCCCCCC)c9)c9cc(SCCCCCC)c(SCCCCCC)cc9c8=Nc8c9cc(SCCCCCC)c(SCCCCCC)cc9c([n]%10%208)N=c%14c8cc(SCCCCCC)c(SCCCCCC)cc%158)n8c(=Nc9[n]%11c(=Nc%10n%12c(N=c27)c2c%10cc(SCCCCCC)c(SCCCCCC)c2)c2cc(SCCCCCC)c(SCCCCCC)cc92)c2cc(SCCCCCC)c(SCCCCCC)cc2c8=N6)c1)c1c5cc(SCCCCCC)c(SCCCCCC)c1)c1cc(SCCCCCC)c(SCCCCCC)cc41)c1cc(SCCCCCC)c(SCCCCCC)cc31
• Title of publication: Solution-processed single crystal microsheets of a novel dimeric phthalocyanine-involved triple-decker for high-performance ambipolar organic field effect transistors
• Authors of publication: Jiang, Jianzhuang; Lu, Guang; Chen, Yanli; Kong, Xia; Sun, Junshan; Zhang, Liangliang
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 18.4066 ± 0.0003 Å
• b: 26.4212 ± 0.0006 Å
• c: 27.4788 ± 0.0006 Å
• α: 106.338 ± 0.002°
• β: 108.689 ± 0.002°
• γ: 102.171 ± 0.002°
• Cell volume: 11462.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No