Crystallography Open Database

Information card for entry 7112108

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Coordinates	7112108.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C90 H168 Fe9 N48 O42 W6
Calculated formula	C90 H111 Fe9 N48 O42 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	28.348 ± 0.0004 Å
b	19.077 ± 0.0003 Å
c	32.345 ± 0.0005 Å
α	90°
β	113.657 ± 0.001°
γ	90°
Cell volume	16022 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0741
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for significantly intense reflections	307.679
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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