Crystallography Open Database

Information card for entry 7240957

Preview

Coordinates	7240957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H20 Er F9 N4 O6 S3
Calculated formula	C38 H20 Er F9 N4 O6 S3
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	21.078 ± 0.0003 Å
b	18.3155 ± 0.0002 Å
c	21.2034 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8185.66 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7240957.cif
254578	2020-07-25	cif/ Adding structures of 7240955, 7240956, 7240957 via cif-deposit CGI script.	7240957.cif