Information card for entry 1517078

Structure parameters

• Formula: C360 H464 Cd24 Ho8 N24 O144
• Calculated formula: C360 H464 Cd24 Ho8 N24 O144
• SMILES: [Ho]1234567[O]8[Cd]9%10([O]=C(O3)C)([O]=C(O4)C)[O]=C(C)[O]3[Ho]4%11%12%13%14%15[O]%16[Cd]%17%18([O]=C(O%14)C)([O]=C(O%15)C)[O]%14[Cd]%15%19%20%21%22[O](=C%14C)[Ho]%14%23%24%25%26%27[O]%28[Cd]%29%30([O]=C(O%24)C)([O]=C(O%25)C)[O]=C(C)[O]%24[Ho]%25%31%32%33%34%35[O]%36[Cd]%37%38([O]=C(C)O%32)([O]=C(O%33)C)[O]%32[Cd]%33%39%40%41([O]6=C%32C)[O]2c2c(cccc2[O]%33C)C=[N]7CCCCCC[N]2[Cd]67%32%33[O]%42[Ho]%43%44%45([O](C)c%46cccc(c%46%42)C=2)([O]=C(O6)C)([O]=C(O7)C)[O]2[Cd]67%42%46([O](C)c%47cccc(c2%47)C=[N]%45CCCCCC[N]%10=Cc%10cccc([O]1C)c8%10)[O]1[Cd]8%10%45(OC(=[O]%45)C)([O]%42C(=[O]%44)C)[O](C)c%42cccc(c1%42)C=[N]%46CCCCCC[N]%42[Cd]3%44%45([O]3[Cd]%46%47([O](C)c%48cccc(C=%42)c3%48)([O]%45C(=[O]%46)C)(OC(=[O]%11)C)[O]=C([O]9%47)C)[O]%13c3c(cccc3[O]%44C)C=[N]4CCCCCC[N]3[Cd]49([O]8=C(O%10)C)([O]6=C([O]7%43)C)[O]6[Ho]78%10([O](C)c%11cccc(c6%11)C=3)([O]=C(O4)C)([O]=C(O9)C)[O]3[Cd]469%11([O](C)c%13cccc(c3%13)C=[N]%10CCCCCC[N]%18=Cc3cccc([O]%12C)c3%16)[O](C(=[O]7)C)[Cd]37%10(OC(=[O]3)C)([O](C)c3cccc(c3[O]97)C=[N]%11CCCCCC[N]%22=Cc3cccc7[O](C)[Cd]9%11([O]%17C(=[O]%11)C)([O]%20c37)([O]%21C(=[O]%26)C)[O]=C(O9)C)[O]=C(C)[O]%10[Cd]379([O]4=C([O]68)C)[O]4[Ho]68%10([O](C)c%11cccc(c4%11)C=[N]9CCCCCC[N]%27=Cc4cccc([O]%19C)c4[O]%15%23)([O]=C(O3)C)([O]=C(O7)C)[O]3[Cd]479%11([O](C)c%12cccc(c3%12)C=[N]%10CCCCCC[N]%30=Cc%10cccc([O]%14C)c%10%28)[O]%10[Cd]%12%13%14(OC(=[O]%14)C)([O]9C(=[O]8)C)[O](C)c8cccc(c8%10)C=[N]%11CCCCCC[N]8[Cd]9%10%24([O]%11[Cd]%14%15([O](c%16cccc(C=8)c%11%16)C)([O]%10C(=[O]%34)C)(OC(=[O]%14)C)[O]=C([O]%29%15)C)[O]%31c8c(cccc8[O]9C)C=[N]%35CCCCCC[N]8[Cd]9%10([O]%12C(=[O]%13)C)([O]4=C([O]67)C)[O]4[Ho]67%11([O](C)c%12cccc(c4%12)C=8)(OC(=[O]9)C)([O]=C(O%10)C)[O]4[Cd]89%10([O](C)c%12cccc(c4%12)C=[N]%11CCCCCC[N]%38=Cc4cccc([O]%25C)c4%36)([O]%33=C([O]79)C)[O]4[Cd]79([O]%32C(=[O]9)C)(OC(=[O]7)C)([O]8C(=[O]6)C)[O](C)c6cccc(c46)C=[N]%10CCCCCC[N]%41=Cc4cccc6[O](C)[Cd]78([O]%39c46)([O]%40C(=[O]5)C)([O]=C(O7)C)[O]=C([O]8%37)C
• Title of publication: FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications
• Authors of publication: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J.
• Journal of publication: Faraday Discussions
• Year of publication: 2014
• a: 54.777 ± 0.011 Å
• b: 62.244 ± 0.012 Å
• c: 79.935 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 272542 ± 9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 6
• 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: 0.2426
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No