Crystallography Open Database

Information card for entry 4329165

Preview

Coordinates	4329165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Cl2 N4 O17 Zn2
Calculated formula	C23 H24 Cl2 N4 O17 Zn2
SMILES	[Zn]123([O]4[Zn]56([O]1c1c7C=[N]3OCCO[N]2=Cc2c4c(C=[N]6CCC[N]5=Cc1cc(c7)C)cc(c2)C)[OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.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	26.1009 ± 0.0014 Å
b	8.0055 ± 0.0004 Å
c	16.6468 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3478.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1139
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1909
Weighted residual factors for all reflections included in the refinement	0.2143
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179394 (current)	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.	4329165.cif
78205	2013-04-01	cif/ Adding structures of 4329165 via cif-deposit CGI script.	4329165.cif