Crystallography Open Database

Information card for entry 1515294

Preview

Coordinates	1515294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 Cu Fe N2 O P2 S
Calculated formula	C52 H43 Cu Fe N2 O P2 S
SMILES	c1ccc(C2=N[N](=C[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[cH]4[cH]3[cH]8[cH]9[cH]%104)[Cu](O2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)s1
Title of publication	Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity.
Authors of publication	Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy
Journal of publication	Metallomics : integrated biometal science
Year of publication	2012
Journal volume	4
Journal issue	5
Pages of publication	498 - 511
a	13.766 ± 0.002 Å
b	17.839 ± 0.003 Å
c	20.779 ± 0.003 Å
α	90°
β	119.372 ± 0.003°
γ	90°
Cell volume	4446.8 ± 1.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
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	0.067
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	1515294.cif
111099	2014-04-20	cif/ Adding structures of 1515293, 1515294 via cif-deposit CGI script.	1515294.cif