Crystallography Open Database

Information card for entry 4329164

Preview

Coordinates	4329164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Cl2 N8 O22 Zn4
Calculated formula	C44 H44 Cl2 N8 O22 Zn4
SMILES	C1=[N]2OCCO[N]3=Cc4cc(cc5C=[N]6OCCO[N]7=Cc8cc(cc1c8[O]1[Zn]823[O](c45)[Zn]671O[Zn]123[N]4=Cc5cc(cc6c5[O]3[Zn]35([N](OCCO[N]3=C6)=Cc3cc(cc(c3[O]25)C=[N]1OCCO4)C)O8)C)C)C.[O-]Cl(=O)(=O)=O.Cl(=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	18.6996 ± 0.0007 Å
b	24.5936 ± 0.0009 Å
c	16.0255 ± 0.0009 Å
α	90°
β	123.87 ± 0.002°
γ	90°
Cell volume	6119.3 ± 0.5 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	0.098
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	4329164.cif
78204	2013-04-01	cif/ Adding structures of 4329164 via cif-deposit CGI script.	4329164.cif