Crystallography Open Database

Information card for entry 3000213

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	8.3928 ± 0.0001 Å
b	8.4512 ± 0.0001 Å
c	12.0977 ± 0.0002 Å
α	90°
β	90.244 ± 0.001°
γ	90°
Cell volume	858.07 ± 0.02 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 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	0.027
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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.