Crystallography Open Database

Information card for entry 7205853

7205852 << 7205853 >> 7205854

Preview

Coordinates	7205853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Ba N2 O8
Calculated formula	C12 H11 Ba N2 O8
SMILES	c1(n(cccc1C(=O)[O-])=O)c1n(cccc1C(=O)[O-])=O.[Ba+2].O.O
Title of publication	Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands
Authors of publication	Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	3040
a	17.4216 ± 0.001 Å
b	10.6092 ± 0.0006 Å
c	7.4959 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1385.46 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0156
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.0389
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205853.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205853.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205853.cif
21032	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205853, 7205854 via cif-deposit CGI script.	7205853.cif