Crystallography Open Database

Information card for entry 7061025

Preview

Coordinates	7061025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 Br4 N6 Pb
Calculated formula	C3 H8 Br4 N6 Pb
Title of publication	Tunable broad-band white-light emission in two-dimensional (110)-oriented lead bromide perovskite (C3H8N6)[PbBr4]: optical, electronic and luminescence properties
Authors of publication	Msalmi, Rawia; Elleuch, Slim; Hamdi, Besma; Radicchi, Eros; Tozri, Anowar; Naïli, Houcine; Berber, Mohamed R.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	44
Pages of publication	20850 - 20859
a	6.013 ± 0.0004 Å
b	21.3814 ± 0.0014 Å
c	10.2099 ± 0.0006 Å
α	90°
β	104.132 ± 0.003°
γ	90°
Cell volume	1272.92 ± 0.14 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
271188 (current)	2021-12-07	cif/ Updating files of 7061025 Original log message: Adding full bibliography for 7061025.cif.	7061025.cif
269976	2021-10-16	cif/ Adding structures of 7061025 via cif-deposit CGI script.	7061025.cif