Crystallography Open Database

Information card for entry 1547705

Preview

Coordinates	1547705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H23 Cl8 Dy N5 Na O5
Calculated formula	C39 H23 Cl8 Dy N5 Na O5
SMILES	c1ccc2c(cc(c3c2[n]1[Dy]124([n]5c6c([O]27)c(Cl)cc(Cl)c6ccc5)([n]2cccc5c(cc(c(c25)[O]42)Cl)Cl)([n]4cccc5c4c(c(Cl)cc5Cl)[O]1[Na]72[O]=CN(C)C)O3)Cl)Cl
Title of publication	Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.
Authors of publication	Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	1
Pages of publication	199 - 208
a	9.9819 ± 0.0002 Å
b	19.8256 ± 0.0004 Å
c	20.6783 ± 0.0004 Å
α	90°
β	91.212 ± 0.002°
γ	90°
Cell volume	4091.26 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	7
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	0.0924
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
228674 (current)	2019-11-17	cif/ Updating files of 1547705, 1547706, 1547707 Original log message: Adding full bibliography for 1547705--1547707.cif.	1547705.cif
202086	2017-10-18	cif/ Adding structures of 1547705, 1547706, 1547707 via cif-deposit CGI script.	1547705.cif