Crystallography Open Database

Information card for entry 1516897

Preview

Coordinates	1516897.cif

Structure parameters

Common name	[Cu(L)Cl](ClO4)(H2O)
Formula	C19 H22 Cl2 Cu N4 O5
Calculated formula	C19 H22 Cl2 Cu N4 O5
Title of publication	Effect of the chelate ring size on the cleavage activity of DNA by copper(II) complexes containing pyridyl groups
Authors of publication	Salah S. Massoud; Richard S. Perkins; Kathleen D. Knierim; Sean P. Comiskey; Kara H. Otero; Corey L. Michel; Wesley M. Juneau; Jorg H. Albering; Franz A. Mautner; Wu Xu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	177 - 184
a	12.406 ± 0.0003 Å
b	15.4849 ± 0.0004 Å
c	23.3147 ± 0.0005 Å
α	72.584 ± 0.001°
β	89.659 ± 0.001°
γ	85.182 ± 0.001°
Cell volume	4257.59 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0446
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
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.	1516897.cif
119613	2014-07-08	cif/ Adding structures of 1516897 via cif-deposit CGI script.	1516897.cif