Crystallography Open Database

Information card for entry 7031564

Preview

Coordinates	7031564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cu N6 O8
Calculated formula	C20 H22 Cu N6 O8
SMILES	[Cu]12([n]3ccccc3c3cc(cc([n]13)c1cccc[n]21)c1[nH]ccn1)(OC(=O)C)[OH2].N(=O)(=O)[O-].O.O
Title of publication	DNA/protein interaction and cytotoxic activity of imidazole terpyridine derived Cu(ii)/Zn(ii) metal complexes.
Authors of publication	Manikandamathavan, V. M.; Weyhermüller, T; Parameswari, R. P.; Sathishkumar, M.; Subramanian, V.; Nair, Balachandran Unni
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	34
Pages of publication	13018
a	7.0908 ± 0.0013 Å
b	22.814 ± 0.004 Å
c	14.215 ± 0.003 Å
α	90°
β	102.509 ± 0.003°
γ	90°
Cell volume	2245 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180021 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15.	7031564.cif
121674	2014-08-08	cif/ Updating files of 7031564 Original log message: Adding full bibliography for 7031564.cif.	7031564.cif
119006	2014-07-05	cif/ Adding structures of 7031564 via cif-deposit CGI script.	7031564.cif