Crystallography Open Database

Information card for entry 7250851

Preview

Coordinates	7250851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Cl4 Fe0.2 N4 Zn0.8
Calculated formula	C12 H18 Cl4 Fe0.204 N4 Zn0.796
Title of publication	Structure–property relationships in tris(2-amino-5-methylpyridinium) hexabromobismuthate monohydrate with a focus on optical and electrical behavior for optoelectronics applications
Authors of publication	Altalib, Rima; Ibrahmi, Imen; Ghoudi, Arafet; Znaidia, Sami; Rekik, Walid; Lhoste, Jerome; Oueslati, Abderrazek
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	39
Pages of publication	32906 - 32918
a	8.0559 ± 0.0007 Å
b	14.7738 ± 0.0012 Å
c	15.7854 ± 0.0012 Å
α	90°
β	101.783 ± 0.005°
γ	90°
Cell volume	1839.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
302123 (current)	2025-09-12	cif/ Adding structures of 7250851 via cif-deposit CGI script.	7250851.cif