Crystallography Open Database

Information card for entry 1544019

Preview

Coordinates	1544019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 Cl Cu N4 O5
Calculated formula	C13 H13 Cl Cu N4 O5
SMILES	[Cu]12([O]=C(N[N]1=Cc1c(O2)cccc1)c1n(cc(N(=O)=O)c1)C)Cl.O
Title of publication	Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies
Authors of publication	Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	484 - 496
a	13.8197 ± 0.0014 Å
b	7.3488 ± 0.001 Å
c	15.9027 ± 0.0018 Å
α	90°
β	111.123 ± 0.001°
γ	90°
Cell volume	1506.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0554
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0856
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544019.cif
186160	2016-09-06	cif/ Adding structures of 1544019 via cif-deposit CGI script.	1544019.cif