Crystallography Open Database

Information card for entry 3000493

Preview

No preview available: structure is on hold until 2025-02-17

Coordinates	Coordinates are not available: structure is on hold until 2025-02-17

Structure parameters

Formula	C8 H10 N4 S4
Authors of publication	Zhanina Petkova; Rusi Rusew; Boris Shivachev; Vanya Kurteva
Journal of publication	To be published in Molecules
a	12.3542 ± 0.0011 Å
b	5.4771 ± 0.0005 Å
c	9.8294 ± 0.0008 Å
α	90°
β	113.27 ± 0.002°
γ	90°
Cell volume	611 ± 0.09 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.