Crystallography Open Database

Information card for entry 8000513

Preview

Coordinates	8000513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H34 Br3 Eu F9 N3 O8
Calculated formula	C53 H34 Br3 Eu F9 N3 O8
SMILES	[Eu]12345([O]=C(C=C(O2)C(F)(F)F)c2ccc(Br)cc2)([O]=C(C=C(O1)C(F)(F)F)c1ccc(Br)cc1)([O]=C(c1ccc(Br)cc1)C=C(O4)C(F)(F)F)[N]1[C@H](c2ccccc2)COC=1c1[n]3c(ccc1)C1OC[C@@H](c2ccccc2)[N]5=1
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	10.198 ± 0.004 Å
b	10.878 ± 0.004 Å
c	12.588 ± 0.005 Å
α	98.433 ± 0.006°
β	107.288 ± 0.004°
γ	98.919 ± 0.004°
Cell volume	1289.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0224
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	0.86
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
267652 (current)	2021-07-21	cif/ Adding structures of 8000513 via cif-deposit CGI script.	8000513.cif