Crystallography Open Database

Information card for entry 8000518

Preview

Coordinates	8000518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H34 Cl3 Eu F9 N3 O8
Calculated formula	C55 H37 Cl3 Eu F9 N4 O8
SMILES	[Eu]12345(OC(=CC(=[O]1)C(F)(F)F)c1ccc(Cl)cc1)([N]1[C@H](c6ccccc6)COC=1c1[n]3c(C3=[N]4[C@H](c4ccccc4)CO3)ccc1)(OC(=CC(=[O]2)C(F)(F)F)c1ccc(Cl)cc1)[O]=C(C=C(c1ccc(Cl)cc1)O5)C(F)(F)F.C(#N)C
Title of publication	Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.
Authors of publication	Okayasu, Yoshinori; Yuasa, Junpei
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Pages of publication	6867 - 6874
a	10.3011 ± 0.0007 Å
b	11.0339 ± 0.0007 Å
c	12.1085 ± 0.0008 Å
α	93.001 ± 0.001°
β	97.851 ± 0.001°
γ	92.865 ± 0.001°
Cell volume	1359.23 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	0.804
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267657 (current)	2021-07-21	cif/ Adding structures of 8000518 via cif-deposit CGI script.	8000518.cif