Crystallography Open Database

Information card for entry 7026062

Preview

Coordinates	7026062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Fe O3
Calculated formula	C30 H30 Fe O3
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]12C(CCC[c]51[cH]6[cH]7[cH]82)=C(c1ccc(O)cc1)c1ccc(O)cc1.O=C(C)C
Title of publication	Organometallic cyclic polyphenols derived from 1,2-(alpha-keto tri or tetra methylene) ferrocene show strong antiproliferative activity on hormone-independent breast cancer cells.
Authors of publication	Plazuk, Damian; Top, Siden; Vessières, Anne; Plamont, Marie-Aude; Huché, Michel; Zakrzewski, Janusz; Makal, Anna; Woźniak, Krzysztof; Jaouen, Gérard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	32
Pages of publication	7444 - 7450
a	9.0572 ± 0.0012 Å
b	10.5343 ± 0.0014 Å
c	14.155 ± 0.002 Å
α	111.543 ± 0.003°
β	103.732 ± 0.003°
γ	95.834 ± 0.002°
Cell volume	1193.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179966 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60.	7026062.cif
93396	2014-01-13	cif/ Adding structures of 7026062 via cif-deposit CGI script.	7026062.cif