Information card for entry 4126200

Structure parameters

• Formula: C660 H570 Eu10 N90 O60
• Calculated formula: C660 H570 Eu10 N90 O60
• SMILES: [Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]2)cccc9C(Nc2ccc(cc2)C=Cc2ccc(cc2)NC2c9cccc%10C(N[C@@H](c%11ccccc%11)C)=[O][Eu]%11%12%13%14%15([n]9%10)([O]=2)[n]2c(C(Nc9ccc(C=Cc%10ccc(cc%10)NC%10c%16cccc%17C(N[C@@H](c%18ccccc%18)C)=[O][Eu]%18%19%20%21([n]%22c(C(Nc%23ccc(C=Cc%24ccc(cc%24)NC(c%24cccc([n]1%24)C(N[C@@H](c1ccccc1)C)=[O]3)=[O]5)cc%23)=[O]%18)cccc%22C(N[C@H](C)c1ccccc1)=[O]%19)([n]%16%17)([n]1c(C(N[C@@H](c3ccccc3)C)=[O]%20)cccc1C(Nc1ccc(cc1)C=Cc1ccc(cc1)NC1c3cccc5C(N[C@H](C)c%16ccccc%16)=[O][Eu]%16%17%18%19([n]%20c(C(N[C@@H](c%22ccccc%22)C)=[O]%16)cccc%20C(Nc%16ccc(cc%16)C=Cc%16ccc(cc%16)NC(c%16cccc(C(N[C@H](C)c%20ccccc%20)=[O]%15)[n]%11%16)=[O]%13)=[O]%18)([n]%11c(C(N[C@@H](c%13ccccc%13)C)=[O]%17)cccc%11C(Nc%11ccc(cc%11)C=Cc%11ccc(cc%11)NC(c%11cccc(C(N[C@H](C)c%13ccccc%13)=[O]8)[n]6%11)=[O]7)=[O]%19)([n]35)[O]=1)=[O]%21)[O]=%10)cc9)=[O]%12)cccc2C(N[C@H](C)c1ccccc1)=[O]%14)=[O]4.[Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]3)cccc9C(Nc3ccc(cc3)C=Cc3ccc(cc3)NC3c9cccc%10C(N[C@H](C)c%11ccccc%11)=[O][Eu]%11%12%13%14([n]9%10)([n]9c(C(Nc%10ccc(C=Cc%15ccc(cc%15)NC(c%15cccc(C(N[C@@H](c%16ccccc%16)C)=[O]4)[n]1%15)=[O]7)cc%10)=[O]%11)cccc9C(N[C@H](C)c1ccccc1)=[O]%13)([n]1c(C(Nc4ccc(C=Cc7ccc(cc7)NC(c7cccc(C(N[C@@H](c9ccccc9)C)=[O]5)[n]27)=[O]8)cc4)=[O]%12)cccc1C(N[C@H](C)c1ccccc1)=[O]%14)[O]=3)=[O]6.[Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]3)cccc9C(Nc3ccc(cc3)C=Cc3ccc(cc3)NC3c9cccc%10C(N[C@H](C)c%11ccccc%11)=[O][Eu]%11%12%13%14([n]9%10)([n]9c(C(Nc%10ccc(C=Cc%15ccc(cc%15)NC(c%15cccc(C(N[C@@H](c%16ccccc%16)C)=[O]4)[n]1%15)=[O]7)cc%10)=[O]%11)cccc9C(N[C@H](C)c1ccccc1)=[O]%13)([n]1c(C(Nc4ccc(C=Cc7ccc(cc7)NC(c7cccc(C(N[C@@H](c9ccccc9)C)=[O]5)[n]27)=[O]8)cc4)=[O]%12)cccc1C(N[C@H](C)c1ccccc1)=[O]%14)[O]=3)=[O]6.[Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]3)cccc9C(Nc3ccc(cc3)C=Cc3ccc(cc3)NC3c9cccc%10C(N[C@H](C)c%11ccccc%11)=[O][Eu]%11%12%13%14([n]9%10)([n]9c(C(Nc%10ccc(C=Cc%15ccc(cc%15)NC(c%15cccc(C(N[C@@H](c%16ccccc%16)C)=[O]4)[n]1%15)=[O]7)cc%10)=[O]%11)cccc9C(N[C@H](C)c1ccccc1)=[O]%13)([n]1c(C(Nc4ccc(C=Cc7ccc(cc7)NC(c7cccc(C(N[C@@H](c9ccccc9)C)=[O]5)[n]27)=[O]8)cc4)=[O]%12)cccc1C(N[C@H](C)c1ccccc1)=[O]%14)[O]=3)=[O]6
• Title of publication: Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.
• Authors of publication: Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 24
• Pages of publication: 8237 - 8244
• a: 61.483 ± 0.007 Å
• b: 61.483 ± 0.007 Å
• c: 61.483 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 232416 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.1308
• Weighted residual factors for significantly intense reflections: 0.3287
• Weighted residual factors for all reflections included in the refinement: 0.3421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.906
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No