Crystallography Open Database

Information card for entry 7206646

7206645 << 7206646 >> 7206647

Preview

Coordinates	7206646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 N5 O5 Zn
Calculated formula	C26 H19 N5 O5 Zn
Title of publication	Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties
Authors of publication	Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6538
a	9.058 ± 0.0018 Å
b	20.067 ± 0.004 Å
c	12.886 ± 0.003 Å
α	90°
β	106.79 ± 0.03°
γ	90°
Cell volume	2242.4 ± 0.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
180397 (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 7/20/66.	7206646.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206646.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206646.cif
29971	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206644, 7206645, 7206646, 7206647, 7206648, 7206649, 7206650, 7206651 via cif-deposit CGI script.	7206646.cif