Information card for entry 7024110

Structure parameters

• Formula: C128 H160 Eu N16 O16
• Calculated formula: C128 H160 Eu N16 O16
• SMILES: [Eu]123456(n7c8=Nc9[n]3c(=Nc3n2c(N=c2[n]1c(N=c7c1c8c(OCCCC)ccc1OCCCC)c1c2c(OCCCC)ccc1OCCCC)c1c3c(OCCCC)ccc1OCCCC)c1c9c(OCCCC)ccc1OCCCC)n1c2=Nc3[n]4c(=Nc4n5c(N=c5[n]6c(N=c1c1c2c(OCCCC)ccc1OCCCC)c1c5c(OCCCC)ccc1OCCCC)c1c4c(OCCCC)ccc1OCCCC)c1c3c(OCCCC)ccc1OCCCC
• Title of publication: Bis[1,4,8,11,15,18,22,25-octa(butyloxyl)phthalocyaninato] rare earth double-decker complexes: synthesis, spectroscopy, and molecular structure.
• Authors of publication: Gao, Yingning; Li, Renjie; Dong, Shuai; Bian, Yongzhong; Jiang, Jianzhuang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1321 - 1327
• a: 31.73 ± 0.002 Å
• b: 21.4427 ± 0.0016 Å
• c: 18.0967 ± 0.0014 Å
• α: 90°
• β: 99.87 ± 0.001°
• γ: 90°
• Cell volume: 12130.3 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No