Crystallography Open Database

Information card for entry 7024181

Preview

Coordinates	7024181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Fe N O
Calculated formula	C19 H19 Fe N O
SMILES	c1(=O)c(ccc(cc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)NCC
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	8.4296 ± 0.0015 Å
b	9.8744 ± 0.0017 Å
c	19.5262 ± 0.0017 Å
α	90°
β	101.57 ± 0.011°
γ	90°
Cell volume	1592.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.143
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.2395
Goodness-of-fit parameter for all reflections included in the refinement	1.473
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.	7024181.cif
92248	2014-01-12	cif/ Adding structures of 7024177, 7024178, 7024179, 7024180, 7024181, 7024182 via cif-deposit CGI script.	7024181.cif