Information card for entry 1543201

Structure parameters

• Formula: C376 H490 Cd24 Cl4 N24 Nd8 O136
• Calculated formula: C376 H490 Cd24 Cl4 N24 Nd8 O136
• SMILES: [Nd]1234567[O](C)c8cccc9c8[O]1[Cd]18([O]=C(O3)C)([O]=C(O4)C)[O]3[Cd]4%10(Cl)([O]=C3C)[O](C)c3cccc%11c3[O]4[Cd]3%12%13%14%15[O]1=C(C)[O]%14[Nd]1%14%16%17%18([O]=C([O]%10%15)C)[O](C)c%10cccc%15c%10[O]1[Cd]1%10([O]=C(O%17)C)([O]=C(O%18)C)[O]%17[Cd]%18%19%20%21%22[O](C)c%23cccc%24c%23[O]%18[Nd]%18%23%25%26%27([O]%21=C%17C)[O](C)c%17cccc%21c%17[O]%18[Cd]%17%18([O]=C(O%23)C)([O]=C(O%25)C)[O]%23[Cd]%25%28(Cl)([O]=C%23C)[O](C)c%23cccc%29c%23[O]%25[Cd]%23%25%30%31%32[O](C)c%33cccc%34c%33[O]%23[Nd]%23%33%35%36([O]%25=C([O]%17%31)C)([O]=C([O]%28%30)C)[O](C)c%17cccc%25c%17[O]%23[Cd]%17%23([O]=C(O%33)C)([O]=C(O%35)C)[O]%28[Cd]%30%31%33%35([O]6=C%28C)[O](C)c6cccc(c6[O]2%30)C=[N]7CCCCCCCC[N]2[Cd]67%28%30[O]%37[Nd]%38%39%40([O](c%41c%37c(C=2)ccc%41)C)([O]=C(O7)C)([O]=C(O%28)C)[O]2[Cd]7%28%37%41([O](C)c%42cccc(c2%42)C=[N]%40CCCCCCCC[N]8=C9)[O]2[Cd]89([O](C)c%40cccc(c2%40)C=[N]%41CCCCCCCC[N]%13=C%11)([O]=C(O9)C)([O]%37C(=[O]%39)C)[O](C(=[O]8)C)[Cd]289([O]7=C([O]%38%28)C)[O]7[Nd]%11%13%28([O]=C(O2)C)([O]=C(O9)C)([O](C)c2cccc(c72)C=[N]8CCCCCCCC[N]%16=Cc2cccc([O]3C)c2[O]%12%14)[O]2[Cd]3789([O](C)c%12cccc(c2%12)C=[N]%28CCCCCCCC[N]%10=C%15)[N](CCCCCCCC[N]%22=Cc2cccc%10[O](C)[Cd]%12%14([O]%19c2%10)([O]%20C(=[O]%26)C)([O]=C(O%12)C)[O]=C([O]1%14)C)=Cc1cccc2[O](C)[Cd]%10(Cl)([O]3c12)([O]9C(=[O]%13)C)[O]=C(C)[O]%10[Cd]123([O]7=C([O]8%11)C)[O]7[Nd]89%10([O]=C(O1)C)([O]=C(O2)C)([O](C)c1cccc(c71)C=[N]3CCCCCCCC[N]%27=C%24)[O]1[Cd]237%11([O]9c9c(C=[N]%10CCCCCCCC[N]%18=C%21)cccc9[O]7C)[O]7[Cd]9%10([O]=C(O%10)C)([O]3C(=[O]8)C)([O](C)c3cccc(c73)C=[N]%11CCCCCCCC[N]%32=C%29)[O](C(=[O]9)C)[Cd]378([O]2=C1C)[O]1[Nd]29%10([O]=C(O3)C)([O]=C(O7)C)([O](C)c3cccc(c13)C=[N]8CCCCCCCC[N]%36=C%34)[O]1[Cd]378([O]%30=C([O]27)C)([O](C)c2cccc(c12)C=[N]%10CCCCCCCC[N]%23=C%25)[N](=Cc1cccc2[O](C)[Cd]7(Cl)([O]3c12)([O]=C([O]67)C)[O]8C(=[O]9)C)CCCCCCCC[N]%35=Cc1cccc2[O](C)[Cd]36([O]%31c12)([O]%33C(=[O]5)C)(OC(=[O]6)C)[O]=C([O]3%17)C
• 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: 54.405 ± 0.011 Å
• b: 61.195 ± 0.012 Å
• c: 91.022 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 303041 ± 10 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.2692
• Weighted residual factors for all reflections included in the refinement: 0.3134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No