Crystallography Open Database

Information card for entry 1544182

Preview

Coordinates	1544182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H192 Dy4 N12 O24
Calculated formula	C105 H192 Dy4 N12 O24
Title of publication	Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet.
Authors of publication	Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	2
Pages of publication	1178 - 1185
a	28.1117 ± 0.0011 Å
b	20.1279 ± 0.0006 Å
c	22.8674 ± 0.001 Å
α	90°
β	105.985 ± 0.003°
γ	90°
Cell volume	12438.7 ± 0.8 Å³
Cell temperature	180.15 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
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
196351 (current)	2017-05-06	cif/ Updating files of 1544182 Original log message: Adding full bibliography for 1544182.cif.	1544182.cif
191517	2017-02-04	cif/ Updating files of 1544182 Original log message: Adding full bibliography for 1544182.cif.	1544182.cif
186726	2016-09-23	cif/ Adding structures of 1544182 via cif-deposit CGI script.	1544182.cif