Crystallography Open Database

Information card for entry 1512992

Preview

Coordinates	1512992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cl4 Cu N2 O2
Calculated formula	C20 H22 Cl4 Cu N2 O2
Title of publication	Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations
Authors of publication	Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi
Journal of publication	Journal of Molecular Structure
Year of publication	2012
Journal volume	1013
Journal issue	0
Pages of publication	102 - 110
a	8.077 ± 0.0014 Å
b	8.6476 ± 0.0015 Å
c	17.209 ± 0.003 Å
α	99.131 ± 0.003°
β	101.853 ± 0.003°
γ	98.832 ± 0.003°
Cell volume	1139.7 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.1154
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2207
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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.	1512992.cif
91315	2013-12-12	cif/ Adding structures of 1512990, 1512991, 1512992 via cif-deposit CGI script.	1512992.cif