Crystallography Open Database

Information card for entry 4328382

Preview

Coordinates	4328382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 O23 Pr2 S2
Calculated formula	C12 H6 O23 Pr2 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	21.859 ± 0.004 Å
b	11.5288 ± 0.0018 Å
c	21.861 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5509.1 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	4328382.cif
77348	2013-03-26	cif/ Adding structures of 4328382 via cif-deposit CGI script.	4328382.cif