Crystallography Open Database

Information card for entry 7132194

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Coordinates	7132194.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	11.1972 ± 0.0004 Å
b	28.549 ± 0.001 Å
c	12.5806 ± 0.0006 Å
α	90°
β	110.047 ± 0.004°
γ	90°
Cell volume	3778 ± 0.3 Å³
Cell temperature	50 K
Ambient diffraction temperature	50 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	0.0587
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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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