Crystallography Open Database

Information card for entry 8000416

Preview

Coordinates	8000416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H0 B8 F32 N5.33 Rb2.67
Calculated formula	C16 B8 F32 N5.33387 Rb2.66667
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	14.341 ± 0.0005 Å
b	14.341 ± 0.0005 Å
c	14.341 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2949.43 ± 0.18 Å³
Cell temperature	348 ± 2 K
Ambient diffraction temperature	348 ± 2 K
Number of distinct elements	6
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	0.0543
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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.	8000416.cif
248184	2020-02-15	cif/ Adding structures of 8000416 via cif-deposit CGI script.	8000416.cif