Crystallography Open Database

Information card for entry 4131510

Preview

Coordinates	4131510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.3 H0.7 I0.13 N0.09 Rb0.04
Calculated formula	C0.304348 H0.695652 I0.130435 N0.0869565 Rb0.0434783
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	7.272 ± 0.003 Å
b	7.272 ± 0.003 Å
c	7.272 ± 0.003 Å
α	84.81 ± 0.003°
β	84.81 ± 0.003°
γ	84.81 ± 0.003°
Cell volume	380.1 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :R
Hall space group symbol	P 3*
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
241701 (current)	2019-11-25	cif/ Adding structures of 4131510 via cif-deposit CGI script.	4131510.cif