Information card for entry 4126355

Structure parameters

• Formula: C408 H384 Cl18 N72 Nd8 O120
• Calculated formula: C408 H384 Cl18 N72 Nd8 O120
• SMILES: [Nd]12345678[n]9c(C(NC(C)C)=[O]2)cccc9C(Nc2cccc9c2cc2c(c9)c(ccc2)NC2c9cccc%10C(NC(C)C)=[O][Nd]%11%12%13%14%15([n]9%10)([n]9c(C(NC(C)C)=[O]%12)cccc9C(Nc9cccc%10c9cc9c(c%10)c(ccc9)NC9c%10cccc%12C(NC(C)C)=[O][Nd]%16%17%18%19%20([n]%21c(C(NC(C)C)=[O]%17)cccc%21C(Nc%17cccc%21c%17cc%17c(c%21)c(ccc%17)NC%17c%21cccc%22C(NC(C)C)=[O][Nd]%23%24%25%26%27([n]%21%22)([n]%21c(C(NC(C)C)=[O]%24)cccc%21C(Nc%21cccc%22c%21cc%21c(c%22)c(ccc%21)NC%21c%22cccc%24C(NC(C)C)=[O][Nd]%28%29%30%31([n]%32c(C(NC(C)C)=[O]%28)cccc%32C(Nc%28cccc%32c%28cc%28c(c%32)c(ccc%28)NC%28c%32cccc%33C(NC(C)C)=[O][Nd]%34%35%36%37([n]%32%33)([n]%32c(C(NC(C)C)=[O]%34)cccc%32C(Nc%32cccc%33c%32cc%32c(c%33)c(ccc%32)NC(c%32cccc(C(NC(C)C)=[O]8)[n]6%32)=[O]7)=[O]%36)([n]6c(C(NC(C)C)=[O]%35)cccc6C(Nc6cccc7c6cc6c(c7)c(ccc6)NC6c7cccc8C(NC(C)C)=[O][Nd]%32%33%34%35([n]%36c(C(Nc%38c%39cc%40cccc(c%40cc%39ccc%38)NC(c%38[n]%23c(C(NC(C)C)=[O]%25)ccc%38)=[O]%27)=[O]%32)cccc%36C(NC(C)C)=[O]%34)([n]%23c(C(Nc%25c%27cc%32cccc(c%32cc%27ccc%25)NC(c%25[n]%11c(C(NC(C)C)=[O]%13)ccc%25)=[O]%15)=[O]%33)cccc%23C(NC(C)C)=[O]%35)([n]78)[O]=6)=[O]%37)[O]=%28)=[O]%30)([n]6c(C(NC(C)C)=[O]%29)cccc6C(Nc6cccc7c6cc6c(c7)c(ccc6)NC6c7cccc8C(NC(C)C)=[O][Nd]%11%13%15%23([n]%25c(C(Nc%27c%28cc%29cccc(NC(c%30[n]1c(C(NC(C)C)=[O]3)ccc%30)=[O]5)c%29cc%28ccc%27)=[O]%11)cccc%25C(NC(C)C)=[O]%15)([n]78)([n]1c(C(Nc3c5cc7cccc(c7cc5ccc3)NC(c3[n]%16c(C(NC(C)C)=[O]%18)ccc3)=[O]%20)=[O]%13)cccc1C(NC(C)C)=[O]%23)[O]=6)=[O]%31)([n]%22%24)[O]=%21)=[O]%26)[O]=%17)=[O]%19)([n]%10%12)[O]=9)=[O]%14)[O]=2)=[O]4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• 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: 27.279 ± 0.0008 Å
• b: 27.279 ± 0.0008 Å
• c: 84.656 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 54556 ± 4 ų
• Cell temperature: 295.01 ± 0.1 K
• Ambient diffraction temperature: 295.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2032
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.3177
• Weighted residual factors for all reflections included in the refinement: 0.4103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No