Information card for entry 4123868

Structure parameters

• Formula: C276 H228 Cl12 Eu4 N36 O80
• Calculated formula: C276 H228 Cl12 Eu4 N36 O80
• SMILES: [Eu]12345678[n]9c(C(Nc%10ccc(cc%10)c%10cc%11cc(c%10)c%10ccc(NC%12=[O][Eu]%13%14%15%16%17%18([n]%19c(C(Nc%20ccc(cc%20)c%20cc%21c%22ccc(cc%22)NC%22=[O][Eu]%23%24%25%26%27([n]%28c%22cccc%28C(N[C@H](C)c%22ccccc%22)=[O]%23)([n]%22c(C(Nc%23ccc%11cc%23)=[O]%24)cccc%22C(N[C@H](C)c%11ccccc%11)=[O]%25)[n]%11c(C(Nc%22ccc(c%23cc(cc(c%24ccc(cc%24)NC(=[O]8)c8[n]6c(ccc8)C(N[C@H](C)c6ccccc6)=[O]7)c%23)c6ccc(NC7=[O][Eu]8%23%24%25%28([n]%29c(C(Nc%30ccc(c%31cc(cc(c%32ccc(cc%32)NC(=[O]5)c5[n]3c(ccc5)C(=N[C@H](C)c3ccccc3)=[O]4)c%31)c3ccc(NC(=[O]%16)c4[n]%13c(ccc4)C(N[C@H](C)c4ccccc4)=[O]%17)cc3)cc%30)=[O]8)cccc%29C(N[C@H](C)c3ccccc3)=[O]%23)([n]3c(C(Nc4ccc(cc4)c(c%20)c%21)=[O]%25)cccc3C(N[C@H](C)c3ccccc3)=[O]%24)[n]3c7cccc3C(N[C@H](C)c3ccccc3)=[O]%28)cc6)cc%22)=[O]%26)cccc%11C(N[C@H](C)c3ccccc3)=[O]%27)=[O]%15)cccc%19C(N[C@H](C)c3ccccc3)=[O]%14)[n]3c%12cccc3C(N[C@H](C)c3ccccc3)=[O]%18)cc%10)=[O]2)cccc9C(N[C@H](C)c2ccccc2)=[O]1.[O-]Cl(=O)(=O)=O.O.O.O.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[O-]Cl(=O)(=O)=O.O.O.O.[O-]Cl(=O)(=O)=O.O.O.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Stereocontrolled Self-Assembly and Self-Sorting of Luminescent Europium Tetrahedral Cages.
• Authors of publication: Yan, Liang-Liang; Tan, Chun-Hong; Zhang, Guang-Lu; Zhou, Li-Peng; Bünzli, Jean-Claude; Sun, Qing-Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 26
• Pages of publication: 8550 - 8555
• a: 42.16895 ± 0.00009 Å
• b: 42.16895 ± 0.00009 Å
• c: 42.16895 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 74985.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.2393
• Residual factor for significantly intense reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.3248
• Weighted residual factors for all reflections included in the refinement: 0.4183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No