Crystallography Open Database

Information card for entry 1517078

Preview

Coordinates	1517078.cif
Original paper (by DOI)	HTML

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 Å³
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 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.	1517078.cif
120030	2014-07-11	cif/ Adding structures of 1517078 via cif-deposit CGI script.	1517078.cif