Information card for entry 7706024

Structure parameters

• Formula: C47 H36 F9 N2 O6 Sm
• Calculated formula: C47 H36 F9 N2 O6 Sm
• SMILES: C(C1C=C(c2ccccc2)O[Sm]234([n]5ccccc5c5cc6c(c[n]25)[C@@H]2C[C@H](C6)C2(C)C)([O]=1)([O]=C(C(F)(F)F)C=C(c1ccccc1)O3)OC(=CC(C(F)(F)F)=[O]4)c1ccccc1)(F)(F)F
• Title of publication: Two homochiral Eu^III and Sm^III enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.
• Authors of publication: Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 1007 - 1018
• a: 10.6922 ± 0.0007 Å
• b: 10.7184 ± 0.0009 Å
• c: 11.1514 ± 0.0008 Å
• α: 83.872 ± 0.007°
• β: 66.808 ± 0.006°
• γ: 74.017 ± 0.007°
• Cell volume: 1129.3 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No