Crystallography Open Database

Information card for entry 7052617

Preview

Coordinates	7052617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N4 O4 Zn
Calculated formula	C20 H14 N4 O4 Zn
Title of publication	Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
Authors of publication	Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	4
Pages of publication	865
a	7.096 ± 0.0012 Å
b	12.071 ± 0.002 Å
c	22.767 ± 0.004 Å
α	90°
β	90.338 ± 0.003°
γ	90°
Cell volume	1950.1 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1243
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052617.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052617.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052617.cif
21241	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7052615, 7052616, 7052617, 7052618, 7052619, 7052620, 7052621, 7052622 via cif-deposit CGI script.	7052617.cif