Crystallography Open Database

Information card for entry 7219948

7219947 << 7219948 >> 7219949

Preview

Coordinates	7219948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 Fe N9 O4 S2
Calculated formula	C19 H24 Fe N9 O4 S2
SMILES	[Fe]1234(SC(=N[N]2=C(c2[n]1cccc2)C)N)SC(=N[N]4=C(c1[n]3cccc1)C)N.N(=O)(=O)[O-].O=C(C)C
Title of publication	Significant photocytotoxic effect of an iron(III) complex of a Schiff base ligand derived from vitamin B6 and thiosemicarbazide in visible light
Authors of publication	Hussain, Akhtar; Sarkar, Tukki; Banerjee, Samya
Journal of publication	RSC Adv.
Year of publication	2015
a	9.629 ± 0.005 Å
b	10.871 ± 0.005 Å
c	11.758 ± 0.005 Å
α	87.529 ± 0.005°
β	86.832 ± 0.005°
γ	89.597 ± 0.005°
Cell volume	1227.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219948.cif
134145	2015-03-19	cif/ Adding structures of 7219947, 7219948 via cif-deposit CGI script.	7219948.cif