Crystallography Open Database

Information card for entry 4131419

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Coordinates	4131419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H144 Eu4 F36 N48 O63 S12
Calculated formula	C204 H144 Eu4 F36 N48 O63 S12
SMILES	[Eu]12345678[N]9CCOC=9c9[n]1c(ccc9)C(=[O]2)Nc1ccc(cc1)c1nc2nc(n1)c1ccc(cc1)NC1=[O][Eu]9%10%11%12%13%14([n]%15c1cccc%15C1=[N]9CCO1)[O]=C(Nc1ccc(c9nc(c%15ccc(NC(c%16[n]4c(C4=[N]3CCO4)ccc%16)=[O]5)cc%15)nc(n9)c3ccc(cc3)NC3=[O][Eu]459%15%16%17([n]%18c3cccc%18C3=[N]4CCO3)[O]=C(Nc3ccc(c4nc(c%18ccc(NC(c%19[n]7c(C7=[N]6CCO7)ccc%19)=[O]8)cc%18)nc(n4)c4ccc(cc4)NC4=[O][Eu]678%18%19([O]=C(Nc%20ccc2cc%20)c2[n]6c(ccc2)C2=[N]7CCO2)([n]2c4cccc2C2=[N]8CCO2)[N]2CCOC=2c2[n]%18c(ccc2)C(=[O]%19)Nc2ccc(cc2)c2nc(nc(n2)c2ccc(cc2)NC(=[O]%12)c2[n]%13c(ccc2)C2=[N]%14CCO2)c2ccc(cc2)NC(=[O]%15)c2[n]%16c(ccc2)C2=[N]%17CCO2)cc3)c2[n]5c(ccc2)C2=[N]9CCO2)cc1)c1[n]%10c(ccc1)C1=[N]%11CCO1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O.O.O
Title of publication	Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.
Authors of publication	Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	36
Pages of publication	12474 - 12479
a	46.803 ± 0.003 Å
b	39.504 ± 0.002 Å
c	35.3743 ± 0.0019 Å
α	90°
β	109.002 ± 0.001°
γ	90°
Cell volume	61840 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1353
Residual factor for significantly intense reflections	0.1163
Weighted residual factors for significantly intense reflections	0.3439
Weighted residual factors for all reflections included in the refinement	0.3769
Goodness-of-fit parameter for all reflections included in the refinement	1.727
Diffraction radiation wavelength	0.7388 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241625 (current)	2019-11-25	cif/ Adding structures of 4131419 via cif-deposit CGI script.	4131419.cif