Crystallography Open Database

Information card for entry 4506441

Preview

Coordinates	4506441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Mn N2 O6
Calculated formula	C12 H6 Mn N2 O6
Title of publication	Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid
Authors of publication	Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	3917
a	6.7519 ± 0.0014 Å
b	13.246 ± 0.003 Å
c	13.27 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1186.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179600 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/64.	4506441.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506441.cif
66165	2012-09-09	cif/ Adding structures of 4506437, 4506438, 4506439, 4506440, 4506441 via cif-deposit CGI script.	4506441.cif