Crystallography Open Database

Information card for entry 3000215

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 parameters

Chemical name	iron(III) hexathiocyanatobismuthate
Formula	C6 Bi Fe N6 S6
Authors of publication	Matthew Cliffe
Journal of publication	To be published in Chemical Science
a	8.3836 ± 0.0001 Å
b	8.5183 ± 0.0001 Å
c	12.1478 ± 0.0002 Å
α	90°
β	89.95 ± 0.001°
γ	90°
Cell volume	867.52 ± 0.02 Å³
Cell temperature	375 ± 2 K
Ambient diffraction temperature	375 ± 2 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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.