Crystallography Open Database

Information card for entry 4126200

Preview

Coordinates	4126200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C660 H570 Eu10 N90 O60
Calculated formula	C660 H570 Eu10 N90 O60
SMILES	[Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]2)cccc9C(Nc2ccc(cc2)C=Cc2ccc(cc2)NC2c9cccc%10C(N[C@@H](c%11ccccc%11)C)=[O][Eu]%11%12%13%14%15([n]9%10)([O]=2)[n]2c(C(Nc9ccc(C=Cc%10ccc(cc%10)NC%10c%16cccc%17C(N[C@@H](c%18ccccc%18)C)=[O][Eu]%18%19%20%21([n]%22c(C(Nc%23ccc(C=Cc%24ccc(cc%24)NC(c%24cccc([n]1%24)C(N[C@@H](c1ccccc1)C)=[O]3)=[O]5)cc%23)=[O]%18)cccc%22C(N[C@H](C)c1ccccc1)=[O]%19)([n]%16%17)([n]1c(C(N[C@@H](c3ccccc3)C)=[O]%20)cccc1C(Nc1ccc(cc1)C=Cc1ccc(cc1)NC1c3cccc5C(N[C@H](C)c%16ccccc%16)=[O][Eu]%16%17%18%19([n]%20c(C(N[C@@H](c%22ccccc%22)C)=[O]%16)cccc%20C(Nc%16ccc(cc%16)C=Cc%16ccc(cc%16)NC(c%16cccc(C(N[C@H](C)c%20ccccc%20)=[O]%15)[n]%11%16)=[O]%13)=[O]%18)([n]%11c(C(N[C@@H](c%13ccccc%13)C)=[O]%17)cccc%11C(Nc%11ccc(cc%11)C=Cc%11ccc(cc%11)NC(c%11cccc(C(N[C@H](C)c%13ccccc%13)=[O]8)[n]6%11)=[O]7)=[O]%19)([n]35)[O]=1)=[O]%21)[O]=%10)cc9)=[O]%12)cccc2C(N[C@H](C)c1ccccc1)=[O]%14)=[O]4.[Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]3)cccc9C(Nc3ccc(cc3)C=Cc3ccc(cc3)NC3c9cccc%10C(N[C@H](C)c%11ccccc%11)=[O][Eu]%11%12%13%14([n]9%10)([n]9c(C(Nc%10ccc(C=Cc%15ccc(cc%15)NC(c%15cccc(C(N[C@@H](c%16ccccc%16)C)=[O]4)[n]1%15)=[O]7)cc%10)=[O]%11)cccc9C(N[C@H](C)c1ccccc1)=[O]%13)([n]1c(C(Nc4ccc(C=Cc7ccc(cc7)NC(c7cccc(C(N[C@@H](c9ccccc9)C)=[O]5)[n]27)=[O]8)cc4)=[O]%12)cccc1C(N[C@H](C)c1ccccc1)=[O]%14)[O]=3)=[O]6.[Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]3)cccc9C(Nc3ccc(cc3)C=Cc3ccc(cc3)NC3c9cccc%10C(N[C@H](C)c%11ccccc%11)=[O][Eu]%11%12%13%14([n]9%10)([n]9c(C(Nc%10ccc(C=Cc%15ccc(cc%15)NC(c%15cccc(C(N[C@@H](c%16ccccc%16)C)=[O]4)[n]1%15)=[O]7)cc%10)=[O]%11)cccc9C(N[C@H](C)c1ccccc1)=[O]%13)([n]1c(C(Nc4ccc(C=Cc7ccc(cc7)NC(c7cccc(C(N[C@@H](c9ccccc9)C)=[O]5)[n]27)=[O]8)cc4)=[O]%12)cccc1C(N[C@H](C)c1ccccc1)=[O]%14)[O]=3)=[O]6.[Eu]12345678[n]9c(C(N[C@@H](c%10ccccc%10)C)=[O]3)cccc9C(Nc3ccc(cc3)C=Cc3ccc(cc3)NC3c9cccc%10C(N[C@H](C)c%11ccccc%11)=[O][Eu]%11%12%13%14([n]9%10)([n]9c(C(Nc%10ccc(C=Cc%15ccc(cc%15)NC(c%15cccc(C(N[C@@H](c%16ccccc%16)C)=[O]4)[n]1%15)=[O]7)cc%10)=[O]%11)cccc9C(N[C@H](C)c1ccccc1)=[O]%13)([n]1c(C(Nc4ccc(C=Cc7ccc(cc7)NC(c7cccc(C(N[C@@H](c9ccccc9)C)=[O]5)[n]27)=[O]8)cc4)=[O]%12)cccc1C(N[C@H](C)c1ccccc1)=[O]%14)[O]=3)=[O]6
Title of publication	Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.
Authors of publication	Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	24
Pages of publication	8237 - 8244
a	61.483 ± 0.007 Å
b	61.483 ± 0.007 Å
c	61.483 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	232416 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.1308
Weighted residual factors for significantly intense reflections	0.3287
Weighted residual factors for all reflections included in the refinement	0.3421
Goodness-of-fit parameter for all reflections included in the refinement	1.906
Diffraction radiation wavelength	1 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200659 (current)	2017-09-12	cif/ Updating files of 4126200 Original log message: Adding full bibliography for 4126200.cif.	4126200.cif
197651	2017-06-09	cif/ Adding structures of 4126200 via cif-deposit CGI script.	4126200.cif