Crystallography Open Database

Information card for entry 7028556

Preview

Coordinates	7028556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Br2 N2 O2 Zn
Calculated formula	C14 H12 Br2 N2 O2 Zn
SMILES	Br[Zn]1(Br)[n]2c(cccc2)C=[N]1c1ccc(cc1)C(=O)OC
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	17.6449 ± 0.0003 Å
b	13.1494 ± 0.0002 Å
c	13.8486 ± 0.0002 Å
α	90°
β	99.4538 ± 0.0015°
γ	90°
Cell volume	3169.51 ± 0.09 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.057
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	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.	7028556.cif
105362	2014-03-12	cif/ Adding structures of 7028552, 7028553, 7028554, 7028555, 7028556, 7028557, 7028558 via cif-deposit CGI script.	7028556.cif