Crystallography Open Database

Information card for entry 7028600

Preview

Coordinates	7028600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cl Cu N3 O3
Calculated formula	C22 H20 Cl Cu N3 O3
SMILES	[Cu]12([O]=C(N[N]2=Cc2c(O1)cc(O)cc2)N(Cc1ccccc1)Cc1ccccc1)Cl
Title of publication	Copper(II) complexes of substituted salicylaldehyde dibenzyl semicarbazones: synthesis, cytotoxicity and interaction with quadruplex DNA.
Authors of publication	Munira Haidad Ali, Siti; Yan, Yaw-Kai; Lee, Peter P. F.; Khong, Kenny Zhi Xiang; Alam Sk, Mahasin; Lim, Kok Hwa; Klejevskaja, Beata; Vilar, Ramon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1449 - 1459
a	9.516 ± 0.002 Å
b	13.668 ± 0.003 Å
c	17.62 ± 0.002 Å
α	75.658 ± 0.004°
β	84.462 ± 0.007°
γ	70.26 ± 0.02°
Cell volume	2089.6 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179992 (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 7/02/86.	7028600.cif
105371	2014-03-12	cif/ Adding structures of 7028600, 7028601 via cif-deposit CGI script.	7028600.cif