Information card for entry 7714431

Structure parameters

• Formula: C46 H35 F9 N3 O6 Yb
• Calculated formula: C46 H35 F9 N3 O6 Yb
• SMILES: c1cncc2c3cc4c(c[n]3[Yb]356([n]12)(OC(=CC(C(F)(F)F)=[O]3)c1ccccc1)([O]=C(C(F)(F)F)C=C(c1ccccc1)O5)[O]=C(C(F)(F)F)C=C(c1ccccc1)O6)[C@H]1C[C@@H](C4)C1(C)C
• Title of publication: Two pairs of chiral YbIII enantiomers presenting distinct NIR luminescence and circularly polarized luminescence performances with giant differences in second-harmonic generation responses
• Authors of publication: Du, Xiaodi; Zhang, Zhiqiang; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.1213 ± 0.0006 Å
• b: 19.8331 ± 0.001 Å
• c: 11.3132 ± 0.0008 Å
• α: 90°
• β: 95.262 ± 0.006°
• γ: 90°
• Cell volume: 2261.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No