Crystallography Open Database

Information card for entry 7234387

Preview

Coordinates	7234387.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	15.558 ± 0.002 Å
b	7.1462 ± 0.0009 Å
c	25.511 ± 0.004 Å
α	90°
β	107.67 ± 0.002°
γ	90°
Cell volume	2702.5 ± 0.6 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 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	0.067
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7234387.html