Crystallography Open Database

Information card for entry 4329163

Preview

Coordinates	4329163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N4 O6
Calculated formula	C22 H24 N4 O6
SMILES	c12C=NOCCO/N=C/c3c(c(cc(c3)C)C=NOCCO/N=C/c(c1O)cc(c2)C)O
Title of publication	A Series of Oxyimine-Based Macrocyclic Dinuclear Zinc(II) Complexes Enhances Phosphate Ester Hydrolysis, DNA Binding, DNA Hydrolysis, and Lactate Dehydrogenase Inhibition and Induces Apoptosis
Authors of publication	Sellamuthu Anbu; Subban Kamalraj; Babu Varghese; Johnpaul Muthumary; Muthusamy Kandaswamy
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5580 - 5592
a	8.0437 ± 0.0004 Å
b	11.2976 ± 0.0005 Å
c	12.0851 ± 0.0005 Å
α	99.996 ± 0.001°
β	94.296 ± 0.001°
γ	101.084 ± 0.001°
Cell volume	1054.7 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
264242 (current)	2021-04-16	cif/4 Fixing some Z values and formulae	4329163.cif
179394	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329163.cif
78203	2013-04-01	cif/ Adding structures of 4329163 via cif-deposit CGI script.	4329163.cif