Crystallography Open Database

Information card for entry 8000418

Preview

Coordinates	8000418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H0 B24 F96 N24
Calculated formula	C48 B24 F96 N24.0016
Title of publication	Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.
Authors of publication	Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	1668 - 1674
a	14.3006 ± 0.0004 Å
b	14.3006 ± 0.0004 Å
c	14.3006 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2924.58 ± 0.14 Å³
Cell temperature	358 ± 2 K
Ambient diffraction temperature	358 ± 2 K
Number of distinct elements	5
Space group number	226
Hermann-Mauguin space group symbol	F m -3 c
Hall space group symbol	-F 4a 2 3
Residual factor for all reflections	0.1324
Residual factor for significantly intense reflections	0.1303
Weighted residual factors for significantly intense reflections	0.488
Weighted residual factors for all reflections included in the refinement	0.4938
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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
248717 (current)	2020-03-04	cif/ Updating files of 8000416, 8000417, 8000418, 8000419 Original log message: Adding full bibliography for 8000416--8000419.cif.	8000418.cif
248186	2020-02-15	cif/ Adding structures of 8000418 via cif-deposit CGI script.	8000418.cif