Crystallography Open Database

Information card for entry 4084072

Preview

Coordinates	4084072.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-[Fe(MeCN)2(7a)](SbF6) (9a)
Formula	C40 H44 Cl4 F12 Fe N4 P2 Sb2
Calculated formula	C40 H44 Cl4 F12 Fe N4 P2 Sb2
Title of publication	Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest
Authors of publication	Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	15
Pages of publication	4086
a	10.1702 ± 0.001 Å
b	11.443 ± 0.0011 Å
c	11.597 ± 0.0012 Å
α	61.817 ± 0.002°
β	88.618 ± 0.002°
γ	85.323 ± 0.002°
Cell volume	1185.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178729 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/40.	4084072.cif
123086	2014-09-06	cif/ Updating files of 4084068, 4084069, 4084070, 4084071, 4084072, 4084073, 4084074 Original log message: Adding full bibliography for 4084068--4084074.cif.	4084072.cif
120704	2014-07-24	cif/ Adding structures of 4084068, 4084069, 4084070, 4084071, 4084072, 4084073, 4084074 via cif-deposit CGI script.	4084072.cif