Crystallography Open Database

Information card for entry 7234389

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Coordinates	7234389.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	15.519 ± 0.002 Å
b	7.0945 ± 0.0009 Å
c	25.462 ± 0.003 Å
α	90°
β	107.683 ± 0.0013°
γ	90°
Cell volume	2670.9 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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