Crystallography Open Database

Information card for entry 1544745

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Coordinates	1544745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C372 H446 Cd24 Eu8 N24 O142
Calculated formula	C372 H446 Cd24 Eu8 N24 O142
SMILES	[Eu]1234567[O](C)c8cccc9c8[O]1[Cd]18%10([O]=C(O4)C)[O]=C(O3)c3ccc(cc3)C3=[O][Cd]4%11%12%13[O]%14[Eu]%15%16%17%18(O3)([O]=C(O%12)C)[O]3[Cd]%12%19%20%21%22[O]%23[Cd]%24%25(OC(=[O]%25)C)([O]%21C(=[O]%15)C)([O](C)c%15cccc(c%23%15)C=[N]%22CCCCCC[N]%10=C9)[O](C(=[O]%24)C)[Cd]9%10%15([O]%19=C([O]%18%20)C)[O]%18[Eu]%19%20%21%22%23([O]=C(O%10)C)[O](C)c%10cccc(c%18%10)C=[N]%15CCCCCC[N]%10[Cd]%15%18%24%25%26[O]%27[Cd]%28%29([O]1C(=[O]%29)C)(OC(=[O]%28)C)([O](C)c1cccc(C=%10)c1%27)[O]%26=C(C)O[Eu]1%10%26%27%28([O]%25=C([O]8%24)C)[O]%15c8c(cccc8[O]%18C)C=[N]%28CCCCCC[N]%23=Cc8cccc%15[O](C)[Cd]%18%23%24%25([O]%19c8%15)[O]8[Cd]%15%19%28([O]%24=C(O%22)C)([O]=C(O%28)C)[O](C)c%22cccc(c8%22)C=[N]%25CCCCCC[N]8[Cd]%22([O]=C(O%26)C)([O]=C(O%27)c%24ccc(cc%24)C(=[O]9)O%20)([O]%10c9c([O]1C)cccc9C=8)[O]1[Cd]89([O]=C1C)([OH2])[O](C)c1cccc%10c1[O]8[Cd]18%20%24%25[O](C)c%26cccc%27c%26[O]1[Eu]1%26%28%29([O]%20=C([O]8%22)C)([O]=C([O]9%24)C)[O]8[Cd]9%20%22([O]=C(O1)C)[O]=C(O%28)c1ccc(cc1)C1=[O][Eu]%24%28%30%31%32([O]%33[Cd]([O]=C(O%31)C)([O]%18=C([O]%21%23)C)([O]%19C(=[O]%15)C)(O1)[N](CCCCCC[N]%25=C%10)=Cc1cccc([O]%24C)c1%33)[O]1[Cd]%10%15%18%19([O](C)c%21cccc(c1%21)C=[N]%32CCCCCC[N]%29=C%27)[O]1[Cd]%21%23([O]=C(O%23)C)([O]%18=C(O%30)C)([O](C)c%18cccc(c1%18)C=[N]%19CCCCCC[N]%22=Cc1cccc([O]%26C)c81)[O](C(=[O]%21)C)[Cd]18%18([O]%10=C([O]%28%15)C)[O]%10[Eu]%15%19%21%22%23([O]=C(O8)C)[O]8[Cd]%24%25%26%27([O]%11=C([O]%21%25)C)[O]%11[Cd]%21([OH2])([O]%13=C(O%21)C)([O]%26=C(O%22)C)[O](C)c%13cccc(c%11%13)C=[N]%27CCCCCC=[N]%11[Cd]%13%21%22([O]%25[Eu]%26%27%28([O]=C(O%13)C)([O]=C(O%22)c%13ccc(cc%13)C(=[O]%19)O1)([O](C)c1c%25c(C=%11)ccc1)[O]1[Cd]%11%13%19([O]%20=C([O]%26%19)C)([O](C)c%19cccc(c1%19)C=[N]%28CCCCCC[N]%23=Cc1cccc([O]%24C)c81)[O]1[Cd]8%19([O]9C(=[O]8)C)([O]=C(O%19)C)([O]%13=C(O%27)C)[O](C)c8cccc(c18)C=[N]%11CCCCCC[N]%18=Cc1cccc([O]%15C)c1%10)[O]1[Cd]89%10([O]5=C1C)([O](C)c1cccc(c1[O]28)C=[N]7CCCCCC[N]%16=Cc1cccc([O]%12C)c31)[O]1[Cd]23([O]9=C(O6)C)([O]=C([O]2%21)C)([O]=C(O3)C)[O](C)c2c1c(ccc2)C=[N]%10CCCCCC[N]4=Cc1cccc([O]%17C)c1%14
Title of publication	Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.
Authors of publication	Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming
Journal of publication	Nanoscale
Year of publication	2017
Journal volume	9
Journal issue	2
Pages of publication	517 - 521
a	42.723 ± 0.006 Å
b	42.723 ± 0.006 Å
c	37.856 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	69097 ± 2 Å³
Cell temperature	223 ± 1 K
Ambient diffraction temperature	223 ± 1 K
Number of distinct elements	6
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.1553
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2587
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
191694 (current)	2017-02-04	cif/ Updating files of 1544745, 1544746 Original log message: Adding full bibliography for 1544745--1544746.cif.	1544745.cif
188969	2016-12-06	cif/ Adding structures of 1544745 via cif-deposit CGI script.	1544745.cif