Crystallography Open Database

Information card for entry 7213664

Preview

Coordinates	7213664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Ba N O5
Calculated formula	C15 H13 Ba N O5
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	7.1269 ± 0.0003 Å
b	14.6724 ± 0.0006 Å
c	15.0027 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1568.81 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	7213664.cif
105150	2014-03-11	cif/ Adding structures of 7213659, 7213660, 7213661, 7213662, 7213663, 7213664 via cif-deposit CGI script.	7213664.cif