Crystallography Open Database

Information card for entry 3000494

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	C10 H14 N4 S4
Authors of publication	Zhanina S. Petkova; Rusi I. Rusew; Boris Shivachev; Vanya B. Kurteva
Journal of publication	To be published in Molecules
a	5.64 ± 0.003 Å
b	6.849 ± 0.004 Å
c	9.469 ± 0.006 Å
α	99.56 ± 0.02°
β	103.889 ± 0.019°
γ	90.88 ± 0.02°
Cell volume	349.6 ± 0.4 Å³
Cell temperature	290 K
Ambient diffraction temperature	290 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation probe	x-ray
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.