Crystallography Open Database

Information card for entry 4131239

Preview

Coordinates	4131239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H16 Br4 N2 Pb
Calculated formula	C5 H16 Br4 N2 Pb
Title of publication	White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.
Authors of publication	Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	14
Pages of publication	5210 - 5215
a	10.7169 ± 0.0013 Å
b	11.7355 ± 0.001 Å
c	12.1266 ± 0.0012 Å
α	90°
β	111.534 ± 0.008°
γ	90°
Cell volume	1418.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0522
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
241489 (current)	2019-11-25	cif/ Adding structures of 4131237, 4131238, 4131239, 4131240 via cif-deposit CGI script.	4131239.cif