Crystallography Open Database

Information card for entry 4127235

Preview

Coordinates	4127235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H32 Br10 N4 Pb3
Calculated formula	C8 H32.96 Br10 N4 Pb3
Title of publication	An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.
Authors of publication	Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	19
Pages of publication	7693 - 7697
a	6.008 ± 0.0015 Å
b	6.008 ± 0.0015 Å
c	46.843 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	1690.8 ± 0.8 Å³
Cell temperature	390 ± 2 K
Ambient diffraction temperature	390 ± 2 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
223200 (current)	2019-11-04	cif/ Updating files of 4127235, 4127236 Original log message: Adding full bibliography for 4127235--4127236.cif.	4127235.cif
215082	2019-05-13	cif/ Adding structures of 4127235 via cif-deposit CGI script.	4127235.cif