Crystallography Open Database

Information card for entry 1544020

Preview

Coordinates	1544020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 Cl2 Fe N4 O6
Calculated formula	C15 H19 Cl2 Fe N4 O6
SMILES	[Fe]12(Cl)(Cl)([N](NC(=[O]1)c1n(cc(N(=O)=O)c1)C)=Cc1c(O2)cccc1)[OH]C.OC
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	10.8267 ± 0.0012 Å
b	22.497 ± 0.003 Å
c	8.5677 ± 0.001 Å
α	90°
β	103.019 ± 0.002°
γ	90°
Cell volume	2033.2 ± 0.4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	1544020.cif
186161	2016-09-06	cif/ Adding structures of 1544020 via cif-deposit CGI script.	1544020.cif