Crystallography Open Database

Information card for entry 1516927

Preview

Coordinates	1516927.cif

Structure parameters

Formula	C28 H32 F6 Fe N3 O4 P V
Calculated formula	C28 H30 F6 Fe N3 O4 P V
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C[N]12[V]3(=O)(OC(=CC(=[O]3)C)C)([n]3c(C2)cccc3)[n]2c(C1)cccc2.[P](F)(F)(F)(F)(F)[F-].O
Title of publication	Photoactivated DNA cleavage and anticancer activity of oxovanadium(IV) complexes of curcumin
Authors of publication	Babu Balaji; Kumar Somyajit; Bhabatosh Banik; Ganesh Nagaraju; Akhil R. Chakravarty
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	142 - 150
a	10.437 ± 0.003 Å
b	13.099 ± 0.004 Å
c	13.77 ± 0.004 Å
α	71.356 ± 0.004°
β	69.014 ± 0.004°
γ	67.803 ± 0.004°
Cell volume	1590 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1972
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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.	1516927.cif
119696	2014-07-08	cif/ Adding structures of 1516927 via cif-deposit CGI script.	1516927.cif