Crystallography Open Database

Information card for entry 7024179

Preview

Coordinates	7024179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Fe O2
Calculated formula	C18 H16 Fe O2
SMILES	c1(=O)c(ccc(cc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)OC
Title of publication	Structural, electronic and magnetic properties of Cu(II) complexes of 2-substituted tropones bearing a ferrocenyl group at 5-position.
Authors of publication	Nishinaga, Tohru; Aono, Tomoshi; Isomura, Eigo; Watanabe, Sayaka; Miyake, Yoshihiro; Miyazaki, Akira; Enoki, Toshiaki; Miyasaka, Hitoshi; Otani, Hiroyuki; Iyoda, Masahiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	9
Pages of publication	2293 - 2300
a	12.891 ± 0.007 Å
b	8.762 ± 0.005 Å
c	13.727 ± 0.009 Å
α	90°
β	111.26 ± 0.05°
γ	90°
Cell volume	1445 ± 1.6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.514
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179946 (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 7/02/41.	7024179.cif
92248	2014-01-12	cif/ Adding structures of 7024177, 7024178, 7024179, 7024180, 7024181, 7024182 via cif-deposit CGI script.	7024179.cif