Crystallography Open Database

Information card for entry 7240955

Preview

Coordinates	7240955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H28 F9 N2 O6 Yb
Calculated formula	C43 H28 F9 N2 O6 Yb
SMILES	[Yb]1234(OC(=CC(=[O]1)c1ccccc1)C(F)(F)F)(OC(=CC(=[O]2)c1ccccc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)c1ccccc1)[n]1cccc2cc(c3ccc[n]4c3c12)C
Title of publication	Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives
Authors of publication	Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	46
Pages of publication	27815 - 27823
a	10.1647 ± 0.0003 Å
b	37.679 ± 0.0009 Å
c	10.9281 ± 0.0003 Å
α	90°
β	91.586 ± 0.002°
γ	90°
Cell volume	4183.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258067 (current)	2020-10-06	cif/ Updating files of 7240955, 7240956, 7240957 Original log message: Adding full bibliography for 7240955--7240957.cif.	7240955.cif
254578	2020-07-25	cif/ Adding structures of 7240955, 7240956, 7240957 via cif-deposit CGI script.	7240955.cif