Crystallography Open Database

Information card for entry 3000159

Preview

No preview available: structure is on hold until 2018-03-30

Coordinates	Coordinates are not available: structure is on hold until 2018-03-30

Structure parameters

Common name	thiourea
Formula	C H4 N2 S
Authors of publication	Katrusiak, A.; Tomkowiak, H.
Journal of publication	To be published in CGD
a	7.1833 ± 0.0005 Å
b	24.893 ± 0.015 Å
c	5.5118 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	985.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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.