Information card for entry 7713118

Structure parameters

• Formula: C128 H126 F9 Lu2 N20 O20 S3 Zn2
• Calculated formula: C128 H126 F9 Lu2 N20 O20 S3 Zn2
• SMILES: [Lu]123456([O]7[Zn]89%10%11[O]1c1c%12C=[N]6CC[N]62CC[N]4=Cc2cc(cc(c27)C=[N]%10c2ccc(N(c4ccc(N)cc4)c4ccc([N]7[Zn]%10%13%14%15[O]%16[Lu]%17%18%19%20%21([O]%13c%13c(C=7)cc(cc%13C=[N]%19CC[N]%18(CC[N]%20=Cc7c%16c(cc(C)c7)C=[N]%15c7ccc(cc7)N(c7ccc(cc7)N)c7ccc([N]%11=Cc1cc(c%12)C)cc7)CC[N]%21=Cc1c([O]%10%17)c(cc(C)c1)C=[N]%14c1ccc(cc1)N(c1ccc(cc1)N)c1ccc([N]9=Cc7c([O]38)c(cc(C)c7)C=[N]5CC6)cc1)C)[OH2])cc4)cc2)C)[OH2].FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.S(=O)(=O)([O-])C(F)(F)F.COC(C)(C)C.O.O
• Title of publication: Hierarchical Subcomponent Self-assembly of Covalent Triple-stranded Complex with 3d-4f Vertices: Luminescence and Magnetic Property
• Authors of publication: Zhi, Liu; Fan, Yin; Yang, Jian; Guo, Xiao-Qing; Zhou, Lipeng; Tian, Chong-Bin; Sun, Qing-Fu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 16.624 ± 0.003 Å
• b: 21.239 ± 0.003 Å
• c: 25.607 ± 0.004 Å
• α: 79.242 ± 0.003°
• β: 81.468 ± 0.004°
• γ: 70.737 ± 0.004°
• Cell volume: 8348 ± 2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No