Crystallography Open Database

Information card for entry 1513179

Preview

Coordinates	1513179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl N3 O3 Zn
Calculated formula	C16 H12 Cl N3 O3 Zn
Title of publication	Three novel coordination polymers based on bifunctionalized ligand 4'-carboxy-4,2':6',4'-terpyridine
Authors of publication	Fei Yuan; Qiao-E Zhu; Huai-Ming Hu; Juan Xie; Bing Xu; Chun-Mei Yuan; Meng-Lin Yang; Fa-Xin Dong; Gang-Lin Xue
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	117 - 123
a	20.452 ± 0.003 Å
b	7.2803 ± 0.001 Å
c	21.203 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3157.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	1513179.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513179.cif
91862	2013-12-16	cif/ Adding structures of 1513179 via cif-deposit CGI script.	1513179.cif