Crystallography Open Database

Information card for entry 7213660

Preview

Coordinates	7213660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N Na2 O5
Calculated formula	C15 H13 N Na2 O5
SMILES	c1cc2c(ccc(C(=O)[O-])c2cc1)C([O-])=O.[Na+].[Na+].O=CN(C)C
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	18.2186 ± 0.0006 Å
b	18.2186 ± 0.0006 Å
c	8.688 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2497.36 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
287753 (current)	2023-11-23	Fixing Z values and formulae	7213660.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7213660.cif
105150	2014-03-11	cif/ Adding structures of 7213659, 7213660, 7213661, 7213662, 7213663, 7213664 via cif-deposit CGI script.	7213660.cif