Crystallography Open Database

Information card for entry 4133148

Preview

Coordinates	4133148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Br3.97 N2 Pb
Calculated formula	C6 H16 Br3.969 N2 Pb
Title of publication	Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.
Authors of publication	Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	40
Pages of publication	13078 - 13088
a	17.745 ± 0.004 Å
b	10.235 ± 0.002 Å
c	7.8299 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1422.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242983 (current)	2019-11-26	cif/ Adding structures of 4133148 via cif-deposit CGI script.	4133148.cif