Crystallography Open Database

Information card for entry 4508267

Preview

Coordinates	4508267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 F4 Fe N4
Calculated formula	C26 H18 F4 Fe N4
Title of publication	Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures
Authors of publication	Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4460
a	6.8934 ± 0.0006 Å
b	23.198 ± 0.002 Å
c	13.9021 ± 0.0013 Å
α	90°
β	94.965 ± 0.002°
γ	90°
Cell volume	2214.8 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179618 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/82.	4508267.cif
88980	2013-10-09	cif/ Adding structures of 4508266, 4508267, 4508268, 4508269, 4508270, 4508271, 4508272, 4508273, 4508274 via cif-deposit CGI script.	4508267.cif