Crystallography Open Database

Information card for entry 4328389

Preview

Coordinates	4328389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 Er O15 S2
Calculated formula	C12 H15 Er O15 S2
Title of publication	Diversity of Lanthanide(III)-Organic Extended Frameworks with a 4,8-Disulfonyl-2,6-naphthalenedicarboxylic Acid Ligand: Syntheses, Structures, and Magnetic and Luminescent Properties
Authors of publication	Qing-Yan Liu; Wu-Fang Wang; Yu-Ling Wang; Zeng-Mei Shan; Ming-Sheng Wang; Jinkui Tang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2381 - 2392
a	10.871 ± 0.002 Å
b	6.7535 ± 0.0012 Å
c	11.859 ± 0.002 Å
α	90°
β	96.18 ± 0.002°
γ	90°
Cell volume	865.6 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179386 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/83.	4328389.cif
77355	2013-03-26	cif/ Adding structures of 4328389 via cif-deposit CGI script.	4328389.cif