Crystallography Open Database

Information card for entry 7218769

Preview

Coordinates	7218769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 N6 O3
Calculated formula	C13 H16 N6 O3
Title of publication	DNA-binding, molecular docking and apoptotic inducing activity of nickel(II), copper(II) and zinc(II) complexes of pyridine-based tetrazolo[1,5-a]pyrimidine ligands
Authors of publication	Rahiman, Kalilur; Arthi, P.; Reddy, Dastagiri; Sakthivel, Natarajan; arun, Y; Paramasivan Thirumalai, Perumal; haleel, azees; veena, V
Journal of publication	RSC Adv.
Year of publication	2014
a	9.3144 ± 0.0003 Å
b	17.8682 ± 0.0005 Å
c	18.0638 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3006.39 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1298
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218769.cif
127303	2014-11-14	cif/ Adding structures of 7218768, 7218769, 7218770 via cif-deposit CGI script.	7218769.cif