Crystallography Open Database

Information card for entry 8000553

Preview

Coordinates	8000553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C139.67 H96 Cd5.33 N43.67 O34 Yb3
Calculated formula	C139.667 H96 Cd5.3334 N43.6668 O34 Yb3
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	53.198 ± 0.004 Å
b	12.3749 ± 0.0009 Å
c	24.9475 ± 0.0018 Å
α	90°
β	90.362 ± 0.003°
γ	90°
Cell volume	16423 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0645
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
270298 (current)	2021-11-04	cif/ Adding structures of 8000551, 8000552, 8000553, 8000554, 8000555, 8000556, 8000557 via cif-deposit CGI script.	8000553.cif