Crystallography Open Database

Information card for entry 4131506

Preview

Coordinates	4131506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 Br3 N2 Rb
Calculated formula	C10.6668 Br3 Rb
Title of publication	Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).
Authors of publication	Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	31
Pages of publication	10897 - 10902
a	6.798 ± 0.002 Å
b	6.798 ± 0.002 Å
c	6.798 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	314.15 ± 0.16 Å³
Cell temperature	353 ± 2 K
Ambient diffraction temperature	353 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
241697 (current)	2019-11-25	cif/ Adding structures of 4131506 via cif-deposit CGI script.	4131506.cif