Crystallography Open Database

Information card for entry 7101579

Preview

Coordinates	7101579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H50 Fe O20 S40
Calculated formula	C65 H40 Fe O20 S40
Title of publication	A chirality-induced alpha phase and a novel molecular magnetic metal in the BEDT-TTF/ tris(croconate)ferrate(III) hybrid molecular system
Authors of publication	C.Gomez Garcia; E.Canadell; E.Coronado; S.Curreli; P.Deplano; C.Faulmann; C.Gimemez-Saiz; M.L.Mercuri; L.Pilia; A.Serpe
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	47
a	42.4125 ± 0.0005 Å
b	11.21 ± 0.0003 Å
c	20.4336 ± 0.0003 Å
α	90°
β	114.893 ± 0.001°
γ	90°
Cell volume	8812.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1036
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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