Crystallography Open Database

Information card for entry 7210874

Preview

Coordinates	7210874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Mn N O5.5
Calculated formula	C14 H9 Mn N O5.5
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	18.263 ± 0.0014 Å
b	18.263 ± 0.0014 Å
c	47.393 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	13689.5 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1583
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.2293
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7210874.cif
90139	2013-11-17	cif/ Adding structures of 7210870, 7210871, 7210872, 7210873, 7210874, 7210875, 7210876, 7210877 via cif-deposit CGI script.	7210874.cif