Crystallography Open Database

Information card for entry 1517769

Preview

Coordinates	1517769.cif

Structure parameters

Formula	C18 H13 N3 Nd O8
Calculated formula	C18 H11 N3 Nd O8
Title of publication	A novel 2D sandwich layered neodymium coordination polymer based on 2,2'-bipyridyl-4,4'-dicarboxylate ligand
Authors of publication	Long-fei Yuan; Jun Li; Rui-ping Liu; Bin Liu; Hui Guo; Feng-xing Zhang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	197 - 200
a	14.094 ± 0.001 Å
b	21.8826 ± 0.0016 Å
c	12.0521 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3717 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517769.cif
123879	2014-09-16	cif/ Adding structures of 1517769 via cif-deposit CGI script.	1517769.cif