Information card for entry 7715113

Structure parameters

• Formula: C228.88 H217.75 Cl25.75 Eu4 F36 N60 O48 S12
• Calculated formula: C205 H192 Eu4 F3 N60 O15 S
• SMILES: CC(C)NC1=[O][Eu]2345678[n]9c1cccc9c1[n]2nn(c1)c1ccc(cc1)c1ccc(cc1)n1n[n]2c(c1)c1[n]9c(ccc1)C(=[O][Eu]1%10%11%12%1329[n]2nn(c9ccc(c%14ccc(n%15n[n]%16c(c%17[n]%18c(C(NC(C)C)=[O][Eu]%19%20%21%22%16%18([O]=C(NC(C)C)c%16[n]%19c(ccc%16)c%16[n]%20nn(c%16)c%16ccc(cc%16)c%16ccc(cc%16)n%16n[n]3c(c%16)c3[n]4c(ccc3)C(=[O]5)NC(C)C)[n]3nn(c4ccc(c5ccc(n%16n[n]%18[Eu]%19%20%23%24%25([n]%26nn(c%27ccc(c%28ccc(n%29n[n]8c(c8[n]7c(C(NC(C)C)=[O]6)ccc8)c%29)cc%28)cc%27)cc%26c6[n]%19c(ccc6)C(=[O]%20)NC(C)C)([n]6nn(c7ccc(c8ccc(n%19n[n]%13c(c%13[n]%12c(C(NC(C)C)=[O]%11)ccc%13)c%19)cc8)cc7)cc6c6[n]%23c(ccc6)C(=[O]%24)NC(C)C)[O]=C(NC(C)C)c6[n]%25c(ccc6)c%18c%16)cc5)cc4)cc3c3[n]%21c(ccc3)C(=[O]%22)NC(C)C)ccc%17)c%15)cc%14)cc9)cc2c2[n]1c(ccc2)C(=[O]%10)NC(C)C)NC(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates
• Authors of publication: Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4772 - 4780
• a: 109.88 ± 0.02 Å
• b: 21.34 ± 0.004 Å
• c: 42.92 ± 0.009 Å
• α: 90°
• β: 108.98 ± 0.03°
• γ: 90°
• Cell volume: 95169 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2431
• Weighted residual factors for all reflections included in the refinement: 0.2879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.62298 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No