Crystallography Open Database

Information card for entry 2023361

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Coordinates	2023361.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(2-iodoethylammonium) hexaiodidobismuthate(III)
Formula	C6 H21 Bi I9 N3
Calculated formula	C6 H21 Bi I9 N3
Title of publication	Crystal structure and Hirshfeld surface analysis of the organic–inorganic hybrid compound tris(2-iodoethylammonium) hexaiodidobismuthate(III)
Authors of publication	Kucheriv, Olesia I.; Ovdenko, Valeriia M.; Kuzevanova, Iryna S.; Golenya, Irina A.; Gural'skiy, Il'ya A.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	8.5014 ± 0.0002 Å
b	12.8233 ± 0.0003 Å
c	13.6364 ± 0.0003 Å
α	107.689 ± 0.002°
β	107.067 ± 0.002°
γ	92.749 ± 0.002°
Cell volume	1338.49 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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