Information card for entry 7131117

Structure parameters

• Formula: C144 H166 Eu2 N4 O26 Ti4
• Calculated formula: C144 H166 Eu2 N4 O26 Ti4
• SMILES: [Eu]123456([O]7[Ti]89%10([O]=C(O[Ti]%11%127([O]8[Eu]78%13([O]=C(O9)c9ccc(cc9)C(C)(C)C)([O]=C(O[Ti]9%14(OC(=[O]1)c1ccc(cc1)C(C)(C)C)(O%10)[O]3[Ti](OC(c1ccc(cc1)C(C)(C)C)=[O]7)(OC(c1ccc(cc1)C(C)(C)C)=[O]5)(O%11)([O]=C(c1ccc(C(C)(C)C)cc1)O9)[O]8%14)c1ccc(C(C)(C)C)cc1)([n]1c(cccc1)c1cc3c([C@H]5C[C@H](C5(C)C)C3)c[n]%131)[O]=C(O%12)c1ccc(cc1)C(C)(C)C)OC(=[O]4)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)OC(=[O]2)c1ccc(C(C)(C)C)cc1)[n]1c(c2[n]6cccc2)cc2c(c1)[C@@H]1C([C@H](C2)C1)(C)C
• Title of publication: Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu₂Ti₄)-oxo clusters.
• Authors of publication: Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 3
• Pages of publication: 346 - 349
• a: 16.4653 ± 0.0001 Å
• b: 18.5669 ± 0.0001 Å
• c: 26.306 ± 0.0002 Å
• α: 76.758 ± 0.001°
• β: 81.871 ± 0.001°
• γ: 78.623 ± 0.001°
• Cell volume: 7635.24 ± 0.09 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 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: 0.0528
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No