Crystallography Open Database

Information card for entry 3000212

Preview

No preview available: structure is on hold until 2019-03-25

Coordinates	Coordinates are not available: structure is on hold until 2019-03-25
Structure factors	Structure factors are not available: structure is on hold until 2019-03-25

Structure parameters

Common name	bismuth(III) thiocyanate
Formula	C6 Bi2 N6 S6
Authors of publication	Matthew Cliffe
Journal of publication	To be published in Chemical Science
a	6.596 ± 0.0002 Å
b	11.7359 ± 0.0004 Å
c	12.03 ± 0.0004 Å
α	114.088 ± 0.002°
β	102.485 ± 0.002°
γ	98.388 ± 0.001°
Cell volume	800.9 ± 0.05 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.