Crystallography Open Database

Information card for entry 1508182

Preview

Coordinates	1508182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 N18 O16 Zn
Calculated formula	C56 H44 N18 O16 Zn
SMILES	[Zn]1234([n]5c(cccc5c5[nH]c6ccccc6[n]25)c2[nH]c5ccccc5[n]12)[n]1c(cccc1c1[n]3c2c([nH]1)cccc2)c1[n]4c2c([nH]1)cccc2.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.O=CN(C)C.O=CN(C)C
Title of publication	Two zinc(II) and cadmium(II) complexes based on the V-shaped ligand 2,6-bis(2-benzimidazolyl)pyridine: Synthesis, crystal structure, DNA-binding properties and antioxidant activities
Authors of publication	Wu, Hui-Lu; Yuan, Jing-Kun; Huang, Xing-Cai; Kou, Fan; Liu, Bin; Jia, Fei; Wang, Kai-Tong; Bai, Ying
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	390
Pages of publication	12 - 21
a	14.221 ± 0.003 Å
b	26.462 ± 0.005 Å
c	20.396 ± 0.006 Å
α	90°
β	133.42 ± 0.018°
γ	90°
Cell volume	5575 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508182.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508182.cif
62728	2012-07-09	cif/ Adding structures of 1508182 via cif-deposit CGI script.	1508182.cif