Information card for entry 7705841

Structure parameters

• Formula: C49 H36 F9 Gd N4 O7
• Calculated formula: C49 H36 F9 Gd N4 O7
• SMILES: [Gd]12345([O]=C(C=C(O1)c1ccccc1)C(F)(F)F)([O]=C(N[N]5(Cc1[n]4cccc1)Cc1[n]3cccc1)c1ccc(/C=C/c3ccccc3)cc1)(OC(=CC(=[O]2)c1ccccc1)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.
• Authors of publication: Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16745 - 16761
• a: 24.5151 ± 0.0006 Å
• b: 9.779 ± 0.0003 Å
• c: 19.4887 ± 0.0004 Å
• α: 90°
• β: 101.209 ± 0.002°
• γ: 90°
• Cell volume: 4583 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2623
• Weighted residual factors for all reflections included in the refinement: 0.3024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No