Crystallography Open Database

Information card for entry 1544017

Preview

Coordinates	1544017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Co N8 O8
Calculated formula	C26 H22 Co N8 O8
SMILES	[Co]1234(Oc5c(C=[N]3NC(=[O]1)c1n(cc(N(=O)=O)c1)C)cccc5)Oc1c(C=[N]4NC(=[O]2)c2n(cc(N(=O)=O)c2)C)cccc1
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	11.182 ± 0.001 Å
b	21.283 ± 0.002 Å
c	12.1581 ± 0.00013 Å
α	90°
β	112.719 ± 0.002°
γ	90°
Cell volume	2669 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1686
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544017.cif
186158	2016-09-06	cif/ Adding structures of 1544017 via cif-deposit CGI script.	1544017.cif