Crystallography Open Database

Information card for entry 1512700

Preview

Coordinates	1512700.cif

Structure parameters

Formula	C22 H22 Cu N4 O6 S
Calculated formula	C22 H22 Cu N4 O6 S
Title of publication	Syntheses and characterization of four 2D metal-organic networks based on rigid imidazolate/carboxylate functionalized ligand - Effect of the torsion of the ligands on crystal structures and properties
Authors of publication	Jing-Si Yang; Jiang Zhu; Rui-Bin Liu; Jun Ni; Zhi-Duo Chang; Tao Hu; Jian-Jun Zhang; Chang-Gong Meng
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	117 - 126
a	11.7035 ± 0.0006 Å
b	8.6041 ± 0.0005 Å
c	23.7693 ± 0.0011 Å
α	90°
β	91.709 ± 0.004°
γ	90°
Cell volume	2392.5 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0659
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	1512700.cif
90767	2013-11-18	cif/ Adding structures of 1512700 via cif-deposit CGI script.	1512700.cif