Crystallography Open Database

Information card for entry 7112219

Preview

Coordinates	7112219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H54 Er N11 O45 Zn6
Calculated formula	C12 H36 Er N11 O44.98 Zn6
Title of publication	New strategy to construct single-ion magnets: a unique Dy@Zn6 cluster exhibiting slow magnetic relaxation
Authors of publication	Gang Xiong; Xiang-Yang Qin; Peng-Fei Shi; Yin-Ling Hou; Jian-Zhong Cui; Bin Zhao
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4255
a	14.4193 ± 0.0006 Å
b	14.4193 ± 0.0006 Å
c	15.0388 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2707.9 ± 0.2 Å³
Cell temperature	122.1 ± 0.1 K
Ambient diffraction temperature	122.1 ± 0.1 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112219.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112219.cif
108404	2014-04-01	cif/ Adding structures of 7112218, 7112219 via cif-deposit CGI script.	7112219.cif