Crystallography Open Database

Information card for entry 7246429

Preview

Coordinates	7246429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 Br4 N4 Zn
Calculated formula	C24 H34 Br4 N4 Zn
SMILES	[Zn](Br)(Br)([Br-])[Br-].[NH+]1c2ccccc2NC(CC=1C)(C)C.[NH+]1c2ccccc2NC(CC=1C)(C)C
Title of publication	Investigation of structural, optical and electrical conductivity of a new organic inorganic bromide: [C12H17N2]2ZnBr4
Authors of publication	Kammoun, I.; Belhouchet, M.; Ben Ahmed, A.; Lhoste, J.; Gargouri, M.
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	12
Pages of publication	8034 - 8042
a	12.1363 ± 0.0006 Å
b	14.9001 ± 0.0008 Å
c	16.2525 ± 0.0009 Å
α	90°
β	98.612 ± 0.002°
γ	90°
Cell volume	2905.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1616
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
281826 (current)	2023-03-11	cif/ Adding structures of 7246429 via cif-deposit CGI script.	7246429.cif