Information card for entry 7706023

Structure parameters

• Formula: C47 H36 F9 N2 O6 Sm
• Calculated formula: C47 H36 F9 N2 O6 Sm
• SMILES: C1(C=C(c2ccccc2)O[Sm]234([n]5c(c6cc7c(c[n]26)[C@@H]2C([C@H](C7)C2)(C)C)cccc5)(OC(=CC(C(F)(F)F)=[O]3)c2ccccc2)([O]=1)OC(=CC(C(F)(F)F)=[O]4)c1ccccc1)C(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: 10.7328 ± 0.0004 Å
• b: 10.7633 ± 0.0004 Å
• c: 11.2076 ± 0.0004 Å
• α: 83.741 ± 0.003°
• β: 66.691 ± 0.004°
• γ: 73.88 ± 0.004°
• Cell volume: 1142.29 ± 0.08 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: 0.0416
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No