Crystallography Open Database

Information card for entry 4331459

Preview

Coordinates	4331459.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	poly-{[tris(mu-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O')- hexaacuadigadolinium(III)]tridecahydrate}
Formula	C18 H56 Gd2 N6 O31
Calculated formula	C18 H6 Gd2 N6 O31
Title of publication	Synthetic Control to Achieve Lanthanide(III)/Pyrimidine-4,6-dicarboxylate Compounds by Preventing Oxalate Formation: Structural, Magnetic, and Luminescent Properties
Authors of publication	Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7875 - 7888
a	22.577 ± 0.006 Å
b	11.905 ± 0.002 Å
c	14.423 ± 0.006 Å
α	90°
β	91.35 ± 0.03°
γ	90°
Cell volume	3876 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P21/c(0\b0)s0
Residual factor for all reflections	0.1504
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for significantly intense reflections	2.73
Goodness-of-fit parameter for all reflections included in the refinement	2.13
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
179417 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/14.	4331459.cif
176724	2016-02-18	cif/4/33/ (antanas@echidna.ibt.lt) Setting svn:keywords property for entries 4331457-4331463.	4331459.cif
85317	2013-05-07	Adding modulated structures	4331459.cif