Crystallography Open Database

Information card for entry 4349729

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Coordinates	4349729.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	17.8318 ± 0.0002 Å
b	21.9673 ± 0.0008 Å
c	7.5656 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2963.57 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	A e a m
Hall space group symbol	-A 2 2ab
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235772 (current)	2019-11-24	cif/ Adding structures of 4349728, 4349729 via cif-deposit CGI script.	4349729.cif