Crystallography Open Database

Information card for entry 1513181

Preview

Coordinates	1513181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Cu N3 O4
Calculated formula	C20 H12 Cu N3 O4
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	9.5561 ± 0.0007 Å
b	16.1623 ± 0.0012 Å
c	11.506 ± 0.0008 Å
α	90°
β	101.398 ± 0.001°
γ	90°
Cell volume	1742 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	1513181.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513181.cif
91864	2013-12-16	cif/ Adding structures of 1513181 via cif-deposit CGI script.	1513181.cif