Crystallography Open Database

Information card for entry 7132195

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Coordinates	7132195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 F6 P S16 Se4
Calculated formula	C24 H16 F6 P S16 Se4
Title of publication	A Triad Molecular Conductor: Simultaneous Control of Charge and Molecular Arrangements
Authors of publication	kinoshita, Naoya; Maruyama, Atsuya; Shirahata, Takashi; Naito, Toshio; Misaki, Yohji
Journal of publication	Chemical Communications
Year of publication	2023
a	11.2465 ± 0.0005 Å
b	28.5788 ± 0.0011 Å
c	12.6059 ± 0.0006 Å
α	90°
β	110.051 ± 0.005°
γ	90°
Cell volume	3806.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.061
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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