Information card for entry 1518679

Structure parameters

• Formula: C254 H317 Cd18 Cl8 N18 O92 Tb6
• Calculated formula: C254 H317 Cd18 Cl8 N18 O92 Tb6
• SMILES: [Tb]1234567[O]8[Cd]9%10%11%12[O](C)c%13cccc(c8%13)C=[N]7CCCCCC[N]7[Cd]8%13%14%15[O]%16[Tb]%17%18%19([O](c%20cccc(C=7)c%16%20)C)([O]=C(O8)C)([O]=C(O%13)C)[O]7[Cd]8%13%16%20%21[O](C)c%22cccc(c7%22)C=[N]%19CCCCCC[N]7[Cd]%19%22([O]2c2c([O]1C)cccc2C=7)([O]=C(O3)C)([O]4C(=[O]%19)C)[O]1[Cd]23(Cl)([O]=C1C)[O](C)c1cccc4c1[O]2[Cd]127%19%23[O](C)c%24cccc%25c%24[O]2[Tb]2%24%26%27([O]%19=C([O]1%22)C)([O]=C([O]3%23)C)[O](C)c1cccc3c1[O]2[Cd]12%19([O]=C(O%24)C)([O]%26=C(O1)C)[O]=C(C)[O]1[Tb]%22%23%24%26%28%29[Cl][Cd]%30%31([O]=C(O%22)C)([O]=C([O]5%10)C)[O]%23c5c([O]%24C)cccc5C=[N]%31CCCCCC[N]5[Tb]%10%22%23%24%31([O]%32[Cd]%33%34%35([O](c%36cccc(C=5)c%32%36)C)([O]%31=C([O]%34%15)C)[O]5[Cd]%15(Cl)([O]%14C(=[O]%15)C)([O]%35C(=[O]%24)C)[O](C)c%14cccc(c5%14)C=[N]%33CCCCCC[N]%12=Cc5cccc%12[O](C)[Cd]%14(Cl)([O]9c5%12)([O]%30C(=[O]%14)C)[O]%11C(=[O]6)C)[Cl][Cd]569([O]=C(O%23)C)[O]%10c%10c(cccc%10[O]%22C)C=[N]5CCCCCC[N]%29=Cc5cccc%10[O](C)[Cd]1%11%12([O]%26c5%10)[O]1[Cd]5(Cl)([O]2C(=[O]5)C)([O]%11C(=[O]%28)C)[O](C)c2cccc(c12)C=[N]%12CCCCCC[N]1=Cc2cccc5[O](C)[Cd]%10%11(Cl)([O]6C(=[O]%10)C)[O](c25)[Cd]1256%10[O](C(=[O]29)C)[Tb]129%12([O]5c5c(C=[N]1CCCCCC[N]%19=C3)cccc5[O]6C)([O]=C([O]%11%10)C)OC(C)=[O][Cd]13([O]2C(=[O]3)C)([O]%16=C([O]%17%20)C)([O]9c2c(C=[N]1CCCCCC[N]%27=C%25)cccc2[O]%12C)[O]1[Cd]2(Cl)([O]%21c3c(C=[N]8CCCCCC[N]7=C4)cccc3[O]2C)([O]=C1C)[O]%13C(=[O]%18)C
• Title of publication: Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications
• Authors of publication: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A.
• Journal of publication: Faraday Discuss.
• Year of publication: 2014
• a: 51.114 ± 0.007 Å
• b: 51.114 ± 0.007 Å
• c: 24.362 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 55122 ± 16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No