Crystallography Open Database

Information card for entry 2023298

2023297 << 2023298 >> 2023299

Preview

Coordinates	2023298.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Iodoethylammonium iodide
Formula	C2 H7 I2 N
Calculated formula	C2 H7 I2 N
Title of publication	Crystal structure and Hirshfeld surface analysis of the salt 2-iodoethylammonium iodide – a possible side product upon synthesis of hybrid perovskites
Authors of publication	Petrosova, Hanna R.; Naumova, Dina D.; Golenya, Irina A.; Buta, Ildiko; Gural'skiy, Il'ya A.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1226 - 1229
a	8.3073 ± 0.0007 Å
b	8.88 ± 0.0006 Å
c	9.3838 ± 0.0007 Å
α	90°
β	102.004 ± 0.007°
γ	90°
Cell volume	677.09 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	4
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	0.0537
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
295711 (current)	2024-11-01	cif/ Adding structures of 2023298 via cif-deposit CGI script.	2023298.cif