Crystallography Open Database

Information card for entry 1517080

Preview

Coordinates	1517080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.67
Calculated formula	C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.667
SMILES	[Eu]1234567[O]=C(C)[O]8[Cd]9%10%11%12[N]%13=Cc%14cccc%15[O](C)[Cd]8%16(Cl)([O]%11c%14%15)[O](C(=[O]%16)C)[Cd]8%11%14%15([O]=C([O]7%12)C)[Tb]7%12%16%17%18([Cl]8)([O]=C(O%11)C)[O]8[Cd]%11%19%20%21[N]%22=Cc%23cccc%24[O](C)[Cd]%25(Cl)([O]%11c%23%24)([O]%19C(=[O]7)C)[O](C(=[O]%25)C)[Cd]7%11%19%23([O]=C8C)[O]=C(C)O[Tb]8%24%25%26%27([O]7C(=[O]%11)C)[O]=C(C)[O]7[Cd]%11%28%29%30[N]%31=Cc%32cccc%33[O](C)[Cd]7%34(Cl)([O]%11c%32%33)[O](C(=[O]%34)C)[Cd]7%11(OC(=[O]5)C)([O]6C(=[O]%11)C)([O]=C([O]%24%29)C)[N](=Cc5cccc([O]3C)c5[O]47)CCCCCC[N]3[Tb]4567%11%24[O]%29c%32c(C=3)cccc%32[O](C)[Cd]%293%32%33[N](CCCCCC%31)=Cc%29cccc%31[O](C)[Cd]%34(Cl)([O]%32c%29%31)([O]3C(=[O]5)C)[O](C(=[O]%34)C)[Cd]35%29%31([O]=C([O]6%33)C)[O]=C(C)O[Tb]6%32%33%34([O]3c3c(C=[N]5CCCCCC[N]%25=Cc5cccc([O]%30C)c5[O]%26%28)cccc3[O]6C)([O]%31C(=[O]%29)C)[O]3[Cd]56%25([O]%32c%26c(C=[N]%33CCCCCC[N]%19=Cc%19cccc([O]%27C)c%19[O]8%23)cccc%26[O]5C)[N](CCCCCC%22)=Cc5cccc8[O](C)[Cd]%19(Cl)([O]6c58)([O]%25C(=[O]%34)C)[O](C(=[O]%19)C)[Cd]568([O]=C3C)[Cl][Tb]3%19%22%23([O]6c6c(cccc6[O]3C)C=[N]8CCCCCC[N]%12=Cc3cccc([O]%20C)c3[O]%16%21)([O]=C(O5)C)[O]=C(C)[O]3[Cd]568([O]%19c%12c(C=[N]%22CCCCCC[N]%15=Cc%15cccc([O]%17C)c%15[O]%14%18)cccc%12[O]5C)[N](CCCCCC%13)=Cc5cccc%12[O](C)[Cd]3%13(Cl)([O]6c5%12)[O](C(=[O]%13)C)[Cd]3([O]=C(O7)C)(OC(=[O]%11)C)([O]=C([O]8%23)C)[N](CCCCCC[N]1=Cc1cccc([O]9C)c1[O]2%10)=Cc1cccc([O]%24C)c1[O]34.O(CC)CC.OC.OC.OC.OC.OC.OC.OC.OC.OC.O(CC)CC.OC.OC.OC.O.O.O.O.O
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	51.304 ± 0.007 Å
b	51.304 ± 0.007 Å
c	24.418 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	55660 ± 16 Å³
Cell temperature	223 ± 1 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	0.1219
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2142
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Suboptimal structure of	1518678
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1517080.cif
131242	2015-02-06	cif/1/ (saulius@koala.ibt.lt) Marking two structures previously deposited from the 10.1039/C4FD00117F paper as having "related optimal" equivalents.	1517080.cif
120032	2014-07-11	cif/ Adding structures of 1517080 via cif-deposit CGI script.	1517080.cif