Crystallography Open Database

Information card for entry 7204107

7204106 << 7204107 >> 7204108

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Coordinates	7204107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cl4 Fe0.9 Ga0.1 S12
Calculated formula	C14 H12 Cl4 Fe0.502 S12
Title of publication	Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition
Authors of publication	Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi
Journal of publication	Journal of Materials Chemistry
Year of publication	2001
Journal volume	11
Journal issue	9
Pages of publication	2125
a	24.021 ± 0.007 Å
b	5.85 ± 0.002 Å
c	22.435 ± 0.007 Å
α	90°
β	118.77 ± 0.02°
γ	90°
Cell volume	2763.5 ± 1.6 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	0.0489
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections	1.047
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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