Crystallography Open Database

Information card for entry 7028558

Preview

Coordinates	7028558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cl2 N2 O Zn
Calculated formula	C13 H12 Cl2 N2 O Zn
SMILES	[Zn]12(Cl)(Cl)[O](c3c([N]2=Cc2[n]1cccc2)cccc3)C
Title of publication	Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.
Authors of publication	Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1191 - 1202
a	7.6346 ± 0.0001 Å
b	18.9972 ± 0.0004 Å
c	9.7619 ± 0.0001 Å
α	90°
β	94.8419 ± 0.0012°
γ	90°
Cell volume	1410.77 ± 0.04 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 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	0.0406
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179991 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/85.	7028558.cif
105362	2014-03-12	cif/ Adding structures of 7028552, 7028553, 7028554, 7028555, 7028556, 7028557, 7028558 via cif-deposit CGI script.	7028558.cif