Crystallography Open Database

Information card for entry 8000552

Preview

Coordinates	8000552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H38 Au3 N16 O8 S6 Yb
Calculated formula	C50 H38 Au3 N16 O8 S6 Yb
Title of publication	Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.
Authors of publication	Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Pages of publication	10558 - 10566
a	22.961 ± 0.003 Å
b	14.1072 ± 0.0016 Å
c	18.6968 ± 0.0019 Å
α	90°
β	103.936 ± 0.007°
γ	90°
Cell volume	5877.9 ± 1.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
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	0.0817
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.388
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270298 (current)	2021-11-04	cif/ Adding structures of 8000551, 8000552, 8000553, 8000554, 8000555, 8000556, 8000557 via cif-deposit CGI script.	8000552.cif