Crystallography Open Database

Information card for entry 7213659

Preview

Coordinates	7213659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 Li O6
Calculated formula	C12 H11 Li O6
Title of publication	Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties
Authors of publication	Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	1985
a	8.0959 ± 0.0004 Å
b	18.776 ± 0.001 Å
c	7.9719 ± 0.0004 Å
α	90°
β	111.19 ± 0.003°
γ	90°
Cell volume	1129.86 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180467 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/36.	7213659.cif
105150	2014-03-11	cif/ Adding structures of 7213659, 7213660, 7213661, 7213662, 7213663, 7213664 via cif-deposit CGI script.	7213659.cif