Crystallography Open Database

Information card for entry 1517771

Preview

Coordinates	1517771.cif

Structure parameters

Formula	C22 H17 I N2 O6 Zn
Calculated formula	C22 H17 I N2 O6 Zn
Title of publication	Two metal-organic coordination polymers assembled from a flexible iodo-dicarboxylate ligand and N-donor ancillary ligands
Authors of publication	Yan Zhao; Lu-Lu He; Hong Xu; Xiao-Yuan Li; Shuang-Quan Zang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	201 - 205
a	8.0493 ± 0.0016 Å
b	10.738 ± 0.002 Å
c	13.318 ± 0.003 Å
α	76.78 ± 0.03°
β	74.11 ± 0.03°
γ	83.85 ± 0.03°
Cell volume	1076.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517771.cif
123881	2014-09-16	cif/ Adding structures of 1517771 via cif-deposit CGI script.	1517771.cif