Crystallography Open Database

Information card for entry 7242844

Preview

Coordinates	7242844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Bi Br5 N4 S2
Calculated formula	C8 H10 Bi Br5 N4 S2
Title of publication	Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)
Authors of publication	Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	29
Pages of publication	17574 - 17586
a	5.752 ± 0.004 Å
b	15.263 ± 0.005 Å
c	10.633 ± 0.004 Å
α	90°
β	104.77 ± 0.02°
γ	90°
Cell volume	902.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
265210 (current)	2021-05-14	cif/ Adding structures of 7242843, 7242844, 7242845, 7242846, 7242847, 7242848, 7242849, 7242850, 7242851, 7242852, 7242853 via cif-deposit CGI script.	7242844.cif