Crystallography Open Database

Information card for entry 7210871

Preview

Coordinates	7210871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N Ni O8
Calculated formula	C14 H11 N Ni O8
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	4.911 ± 0.0002 Å
b	29.757 ± 0.0011 Å
c	10.197 ± 0.0004 Å
α	90°
β	103.639 ± 0.004°
γ	90°
Cell volume	1448.13 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.251
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7210871.cif
90139	2013-11-17	cif/ Adding structures of 7210870, 7210871, 7210872, 7210873, 7210874, 7210875, 7210876, 7210877 via cif-deposit CGI script.	7210871.cif