Crystallography Open Database

Information card for entry 7218770

Preview

Coordinates	7218770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Cl2 N12 O6.5 Zn
Calculated formula	C28 H28 Cl2 N12 O6.501 Zn
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	10.46 ± 0.0004 Å
b	13.507 ± 0.0005 Å
c	26.652 ± 0.0009 Å
α	90°
β	93.851 ± 0.002°
γ	90°
Cell volume	3757 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1965
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218770.cif
127303	2014-11-14	cif/ Adding structures of 7218768, 7218769, 7218770 via cif-deposit CGI script.	7218770.cif