Crystallography Open Database

Information card for entry 7234380

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Coordinates	7234380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 N4 S4
Calculated formula	C14 H8 N4 S4
Title of publication	Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation
Authors of publication	Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7968 - 7977
a	15.629 ± 0.004 Å
b	48.792 ± 0.011 Å
c	3.6419 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2777.2 ± 1.1 Å³
Cell temperature	400 K
Ambient diffraction temperature	400 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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