Information card for entry 4131419

Structure parameters

• Formula: C204 H144 Eu4 F36 N48 O63 S12
• Calculated formula: C204 H144 Eu4 F36 N48 O63 S12
• SMILES: [Eu]12345678[N]9CCOC=9c9[n]1c(ccc9)C(=[O]2)Nc1ccc(cc1)c1nc2nc(n1)c1ccc(cc1)NC1=[O][Eu]9%10%11%12%13%14([n]%15c1cccc%15C1=[N]9CCO1)[O]=C(Nc1ccc(c9nc(c%15ccc(NC(c%16[n]4c(C4=[N]3CCO4)ccc%16)=[O]5)cc%15)nc(n9)c3ccc(cc3)NC3=[O][Eu]459%15%16%17([n]%18c3cccc%18C3=[N]4CCO3)[O]=C(Nc3ccc(c4nc(c%18ccc(NC(c%19[n]7c(C7=[N]6CCO7)ccc%19)=[O]8)cc%18)nc(n4)c4ccc(cc4)NC4=[O][Eu]678%18%19([O]=C(Nc%20ccc2cc%20)c2[n]6c(ccc2)C2=[N]7CCO2)([n]2c4cccc2C2=[N]8CCO2)[N]2CCOC=2c2[n]%18c(ccc2)C(=[O]%19)Nc2ccc(cc2)c2nc(nc(n2)c2ccc(cc2)NC(=[O]%12)c2[n]%13c(ccc2)C2=[N]%14CCO2)c2ccc(cc2)NC(=[O]%15)c2[n]%16c(ccc2)C2=[N]%17CCO2)cc3)c2[n]5c(ccc2)C2=[N]9CCO2)cc1)c1[n]%10c(ccc1)C1=[N]%11CCO1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O.O.O
• Title of publication: Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.
• Authors of publication: Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12474 - 12479
• a: 46.803 ± 0.003 Å
• b: 39.504 ± 0.002 Å
• c: 35.3743 ± 0.0019 Å
• α: 90°
• β: 109.002 ± 0.001°
• γ: 90°
• Cell volume: 61840 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.3439
• Weighted residual factors for all reflections included in the refinement: 0.3769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.727
• Diffraction radiation wavelength: 0.7388 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No