Crystallography Open Database

Information card for entry 7024180

Preview

Coordinates	7024180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Fe N O
Calculated formula	C21 H23 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)N(CC)CC
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	9.7399 ± 0.0013 Å
b	8.0421 ± 0.0011 Å
c	43.669 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3420.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
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.	7024180.cif
92248	2014-01-12	cif/ Adding structures of 7024177, 7024178, 7024179, 7024180, 7024181, 7024182 via cif-deposit CGI script.	7024180.cif