Crystallography Open Database

Information card for entry 7210872

Preview

Coordinates	7210872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 Cu N O5
Calculated formula	C14 H9 Cu N O5
Title of publication	Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium
Authors of publication	Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	36
Pages of publication	7360
a	8.413 ± 0.0012 Å
b	5.334 ± 0.0007 Å
c	13.284 ± 0.0014 Å
α	90°
β	97.52 ± 0.013°
γ	90°
Cell volume	590.99 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180439 (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 7/21/08.	7210872.cif
90139	2013-11-17	cif/ Adding structures of 7210870, 7210871, 7210872, 7210873, 7210874, 7210875, 7210876, 7210877 via cif-deposit CGI script.	7210872.cif