Crystallography Open Database

Information card for entry 7218764

Preview

Coordinates	7218764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Mn2 N2 O11
Calculated formula	C30 H30 Mn2 N2 O11
Title of publication	Three 3D Coordination Polymers Based on [1,1’:4’,1’’-terphenyl]-2’,4,4’’,5’-tetracarboxylate Demonstrating Magnetic Properties and Selective Sensing Al3+/Fe3+over Mixed Ions
Authors of publication	Kang, Bei-Bei; Wei, Na; Han, Zhengbo
Journal of publication	RSC Adv.
Year of publication	2014
a	12.6852 ± 0.0011 Å
b	14.7613 ± 0.0015 Å
c	16.003 ± 0.0015 Å
α	90°
β	98.21 ± 0.003°
γ	90°
Cell volume	2965.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1394
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180518 (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 7/21/87.	7218764.cif
127296	2014-11-13	cif/ Adding structures of 7218762, 7218763, 7218764 via cif-deposit CGI script.	7218764.cif