Crystallography Open Database

Information card for entry 4500345

Preview

Coordinates	4500345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 N5 O8 Zn2
Calculated formula	C20 H13 N5 O8 Zn2
Title of publication	Zinc Coordination Polymers with 2,6-Bis(imidazole-1-yl)pyridine and Benzenecarboxylate:Pseudo-Supramolecular Isomers with and without Interpenetration and Unprecedented Trinodal Topology
Authors of publication	Lee, Jhen-Yi; Chen, Chih-Yuan; Lee, Hon Man; Passaglia, Elisa; Vizza, Francesco; Oberhauser, Werner
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1230
a	11.526 ± 0.002 Å
b	14.485 ± 0.003 Å
c	13.108 ± 0.003 Å
α	90°
β	95.727 ± 0.004°
γ	90°
Cell volume	2177.5 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1233
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
179534 (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 4/50/03.	4500345.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500345.cif
34459	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500343, 4500344, 4500345 via cif-deposit CGI script.	4500345.cif