Crystallography Open Database

Information card for entry 2023307

2023306 << 2023307 >> 2023308

Preview

Coordinates	2023307.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H20 Br6 N4 Zn
Calculated formula	C4 H20 Br6 N4 Zn
Title of publication	Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>NH<sub>3</sub>]<sub>2</sub>[ZnBr<sub>4</sub>]Br<sub>2</sub>.
Authors of publication	Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	6
Pages of publication	738 - 745
a	6.394 ± 0.002 Å
b	19.838 ± 0.002 Å
c	6.668 ± 0.002 Å
α	90°
β	93.18 ± 0.02°
γ	90°
Cell volume	844.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
296751 (current)	2024-12-07	cif/ Updating files of 2023307, 2023308 Original log message: Adding full bibliography for 2023307--2023308.cif.	2023307.cif
295832	2024-11-08	cif/ hkl/ Adding structures of 2023307, 2023308 via cif-deposit CGI script.	2023307.cif