Crystallography Open Database

Information card for entry 7112107

Preview

Coordinates	7112107.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C84.5 H145.5 Fe9 N48 O36.5 W6
Calculated formula	C84.5 H90 Fe9 N48 O36.5 W6
Title of publication	Charge transfer phase transition with reversed thermal hysteresis loop in the mixed-valence Fe9[W(CN)8]6.xMeOH cluster
Authors of publication	Szymon Chorazy; Robert Podgajny; Wojciech Nogas; Wojciech Nitek; Marcin Koziel; Michal Rams; Ewa Juszynska-Galazka; Jan Zukrowski; Czeslaw Kapusta; Koji Nakabayashi; Takashi Fujimoto; Shin-ichi Ohkoshi; Barbara Sieklucka
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3484
a	28.836 ± 0.0005 Å
b	19.584 ± 0.0005 Å
c	32.801 ± 0.0005 Å
α	90 ± 0.005°
β	113.657 ± 0.0011°
γ	90 ± 0.005°
Cell volume	16966.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112107.cif
105869	2014-03-13	cif/ Adding structures of 7112107, 7112108 via cif-deposit CGI script.	7112107.cif