Crystallography Open Database

Information card for entry 7021359

Preview

Coordinates	7021359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 F6 Fe P
Calculated formula	C22 H34 F6 Fe P
Title of publication	Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties.
Authors of publication	Funasako, Yusuke; Inagaki, Takashi; Mochida, Tomoyuki; Sakurai, Toshihiro; Ohta, Hitoshi; Furukawa, Ko; Nakamura, Toshikazu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8317 - 8327
a	12.6489 ± 0.0014 Å
b	13.2409 ± 0.0015 Å
c	13.8307 ± 0.0016 Å
α	91.767 ± 0.002°
β	91.233 ± 0.002°
γ	94.617 ± 0.002°
Cell volume	2307.1 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179918 (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 7/02/13.	7021359.cif
86909	2013-07-12	cif/ Adding structures of 7021358, 7021359, 7021360, 7021361, 7021362, 7021363 via cif-deposit CGI script.	7021359.cif