Crystallography Open Database

Information card for entry 8000417

Preview

Coordinates	8000417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 B3 F12 N3
Calculated formula	C6 H18 B3 F12 N3
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	14.2205 ± 0.0003 Å
b	14.2205 ± 0.0003 Å
c	14.2205 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2875.71 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	8000417.cif
248185	2020-02-15	cif/ Adding structures of 8000417 via cif-deposit CGI script.	8000417.cif