Information card for entry 7715111

Structure parameters

• Formula: C190 H151 Cl20 Eu2 F6 N30 O24 S6
• Calculated formula: C174 H131 Eu2 N30 O6
• SMILES: [Eu]12345678[O]=C(N[C@H](c9cccc%10c9cccc%10)C)c9[n]1c(ccc9)c1[n]2nn(c1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1n[n]2[Eu]9%10%11%12%13([n]%14c(c2c1)cccc%14C(N[C@H](c1c2ccccc2ccc1)C)=[O]9)([O]=C(N[C@H](c1cccc2c1cccc2)C)c1[n]%10c(ccc1)c1[n]%11nn(c1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1n[n]3c(c1)c1[n]4c(ccc1)C(=[O]5)N[C@H](c1cccc2c1cccc2)C)[n]1nn(c2ccc(c3ccc(c4ccc(n5n[n]8c(c8[n]7c(C(N[C@H](c7cccc9c7cccc9)C)=[O]6)ccc8)c5)cc4)cc3)cc2)cc1c1[n]%12c(ccc1)C(=[O]%13)N[C@H](c1cccc2c1cccc2)C
• 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: 14.336 ± 0.003 Å
• b: 22.784 ± 0.005 Å
• c: 34.552 ± 0.006 Å
• α: 90°
• β: 100.957 ± 0.005°
• γ: 90°
• Cell volume: 11080 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No