Information card for entry 1543203

Structure parameters

• Formula: C384 H504 Cd24 N24 O144 Sm8
• Calculated formula: C384 H504 Cd24 N24 O144 Sm8
• SMILES: [Sm]1234567[O]8[Cd]9%10%11%12%13[O](C)c%14cccc(c8%14)C=[N]7CCCCCCCC[N]7[Cd]8%14%15%16[O]%17[Sm]%18%19%20([O](C)c%21cccc(c%17%21)C=7)([O]=C(O8)C)([O]=C(O%14)C)[O]7[Cd]8%14%17%21%22[O]%23[Cd]%24%25%26([O]=C(O%26)C)([O]%17C(=[O]%19)C)[O](C)c%17cccc(c%23%17)C=[N]%21CCCCCCCC[N]%17[Cd]%19%21%23%26%27[O]%28[Cd]%29%30%31([O]=C(O%31)C)([O](C)c%31cccc(c%28%31)C=%17)[O]=C(C)[O]%29[Cd]%17([O]=C(O4)C)([O]=C(O5)C)([O]2c2c([O]1C)cccc2C=[N]%17CCCCCCCC[N]%20=Cc1cccc([O]%22C)c71)[O]%19=C(C)[O]%27[Sm]12457([O]=C([O]%21%30)C)[O]%26c%17c([O]%23C)cccc%17C=[N]7CCCCCCCC[N]7[Cd]%17%19([O]%25C(=[O]%24)C)([O]8=C([O]%18%14)C)[O]8[Sm]%14%18%20([O]=C(O%17)C)([O]=C(O%19)C)([O](C)c%17cccc(c8%17)C=7)[O]7[Cd]8%17%19%21%22[O](C)c%23cccc(c7%23)C=[N]%20CCCCCCCC[N]7[Cd]%20([O]2c2c([O]1C)cccc2C=7)([O]=C(O4)C)([O]=C(O5)C)[O]1[Cd]2457%23[O]%24[Cd]%25%26%27([O]%20C(=[O]%27)C)(OC(=[O]%25)C)[O](C)c%20cccc(c%24%20)C=[N]%23CCCCCCCC[N]%22=Cc%20cccc%22c%20[O]8[Cd]8%20([O]%22C)([O]%17C(=[O]%14)C)([O]=C(O%20)C)[O](C(=[O]8)C)[Cd]8%14%17([O]%19=C([O]%18%21)C)[O]%18[Sm]%19%21%22%23([O]=C(O8)C)([O]=C(O%14)C)[O]8[Cd]%14%24%25%27%28[O]%29[Cd]%30%31%32([O]=C(O%32)C)([O]%27C(=[O]%22)C)[O](C)c%22cccc(c%29%22)C=[N]%28CCCCCCCC[N]%22[Cd]%27%28%29%32%33[O]%34[Sm]%35%36%37%38%39([O](C)c%40cccc%41c%40[O]%35[Cd]%35([O]=C(O%36)C)([O]=C(O%37)C)([O]%11=C([O]6%12)C)[O]6[Cd]%11%12([O]%10C(=[O]3)C)([O]=C6C)([O]=C(O%12)C)[O](C)c3c([O]9%11)c(ccc3)C=[N]%13CCCCCCCC[N]3[Cd]69%10%11%12[O]%13[Cd]%36%37([O]%16C(=[O]%36)C)(OC(=[O]%37)C)([O](C)c%16cccc(c%13%16)C=3)[O]%12C(C)=[O][Sm]3%12%13%16([O]%10=C([O]9%15)C)([O]6c6c([O]%11C)cccc6C=[N]%13CCCCCCCC[N]%35=C%41)[O](C)c6cccc9c6[O]3[Cd]([O]=C(O%16)C)([O]=C(O%12)C)([O]%30C(=[O]%31)C)([O]%24=C([O]%21%25)C)[N](=C9)CCCCCCCC[N]%39=Cc3cccc([O]%28C)c3%34)[O]=C(C)[O]%33[Cd]369([O]=C(O9)C)([O](C)c9cccc(c9[O]3%27)C=%22)[O](C(=[O]6)C)[Cd]369([O]%29=C([O]%32%38)C)[O]%10[Sm]%11([O]5=C1C)([O]=C([O]7%26)C)([O]=C(O3)C)([O]=C(O6)C)([O]4c1c([O]2C)cccc1C=[N]%11CCCCCCCC[N]%17=Cc1cccc([O]%19C)c1%18)[O](C)c1cccc(c1%10)C=[N]9CCCCCCCC[N]%23=Cc1cccc([O]%14C)c81
• Title of publication: Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.
• Authors of publication: Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.
• Journal of publication: Nanoscale
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 11123 - 11129
• a: 56.782 ± 0.011 Å
• b: 62.983 ± 0.013 Å
• c: 44.704 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 159875 ± 6 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 6
• Space group number: 21
• Hermann-Mauguin space group symbol: C 2 2 2
• Hall space group symbol: C 2 2
• Residual factor for all reflections: 0.2276
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.2519
• Weighted residual factors for all reflections included in the refinement: 0.3063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No