Crystallography Open Database

Information card for entry 1546437

Preview

Coordinates	1546437.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	;Dy2S@Cs(6)-C82/Ni(OEP)/2(C7H8);
Formula	C132 H59 Dy2 N4 Ni S
Calculated formula	C132 H59 Dy2.001 N4 Ni S
Title of publication	Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism
Authors of publication	Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.
Journal of publication	Chem. Sci.
Year of publication	2017
a	25.34 ± 0.005 Å
b	14.77 ± 0.003 Å
c	20.55 ± 0.004 Å
α	90°
β	97.13 ± 0.03°
γ	90°
Cell volume	7632 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1679
Residual factor for significantly intense reflections	0.1181
Weighted residual factors for significantly intense reflections	0.3275
Weighted residual factors for all reflections included in the refinement	0.3635
Goodness-of-fit parameter for all reflections included in the refinement	1.449
Diffraction radiation wavelength	0.89429 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198297 (current)	2017-07-01	cif/ Adding structures of 1546437, 1546438 via cif-deposit CGI script.	1546437.cif