Crystallography Open Database

Information card for entry 7106264

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Coordinates	7106264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H5 F3 N2 O4 S5
Calculated formula	C13 H5 F3 N2 O4 S5
Title of publication	The first semiquinone-bridged bisdithiazolyl radical conductor: a canted antiferromagnet displaying a spin-flop transition
Authors of publication	Xin Yu; Aaron Mailman; Paul A. Dube; Abdeljalil Assoud; Richard T. Oakley
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	4655
a	8.4534 ± 0.0004 Å
b	12.9782 ± 0.0006 Å
c	16.2121 ± 0.0007 Å
α	90°
β	102.762 ± 0.001°
γ	90°
Cell volume	1734.69 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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