Crystallography Open Database

Information card for entry 4110390

Preview

Coordinates	4110390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 F6 P S16
Calculated formula	C24 H24 F6 P S16
SMILES	S1CCSC2=C1SC(S2)=C1SC2=C(S1)SC(C(S2)C)C.S1CCSC2=C1SC(S2)=C1SC2=C(S1)SC(C(S2)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Checkerboard-Type Charge-Ordered State of a Pressure-Induced Superconductor, β-(meso-DMBEDT-TTF)2PF6
Authors of publication	Shinya Kimura; Hideaki Suzuki; Tomoko Maejima; Hatsumi Mori; Jun-Ichi Yamaura; Toru Kakiuchi; Hiroshi Sawa; Hiroshi Moriyama
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	1456 - 1457
a	13.294 ± 0.003 Å
b	16.663 ± 0.004 Å
c	9.006 ± 0.002 Å
α	97.787 ± 0.007°
β	111.12 ± 0.01°
γ	68.101 ± 0.009°
Cell volume	1726.7 ± 0.7 Å³
Cell temperature	11.5 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	2.891
Diffraction radiation wavelength	0.9989 Å
Diffraction radiation type	SrKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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