Crystallography Open Database

Information card for entry 7242852

Preview

Coordinates	7242852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Br5 N6 Sb
Calculated formula	C8 H12 Br5 N6 Sb
SMILES	Br[Sb]([Br-])(Br)([Br-])Br.n1c(N)[nH+]ccc1.n1c(N)[nH+]ccc1
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	5.946 ± 0.003 Å
b	14.401 ± 0.004 Å
c	10.621 ± 0.004 Å
α	90°
β	105.31 ± 0.02°
γ	90°
Cell volume	877.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	7242852.cif