Crystallography Open Database

Information card for entry 4131507

Preview

Coordinates	4131507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 Br3 N2 Rb
Calculated formula	C6 H14 Br3 N2 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	9.6444 ± 0.0014 Å
b	9.6444 ± 0.0014 Å
c	23.254 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	1873.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
241698 (current)	2019-11-25	cif/ Adding structures of 4131507 via cif-deposit CGI script.	4131507.cif