Crystallography Open Database

Information card for entry 4349728

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Coordinates	4349728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 Bi Cl5 N2
Calculated formula	C4 H16 Bi Cl5 N2
Title of publication	Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties
Authors of publication	Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	8
Pages of publication	1281
a	17.5405 ± 0.0004 Å
b	21.767 ± 0.0004 Å
c	7.47911 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	2855.55 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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