Crystallography Open Database

Information card for entry 4131509

Preview

Coordinates	4131509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H16 I3 N2 Rb
Calculated formula	C9.36 I3 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	7.3827 ± 0.0009 Å
b	7.3827 ± 0.0009 Å
c	7.3827 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	402.39 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	207
Hermann-Mauguin space group symbol	P 4 3 2
Hall space group symbol	P 4 2 3
Residual factor for all reflections	0.1362
Residual factor for significantly intense reflections	0.1057
Weighted residual factors for significantly intense reflections	0.2868
Weighted residual factors for all reflections included in the refinement	0.3184
Goodness-of-fit parameter for all reflections included in the refinement	1.246
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
241700 (current)	2019-11-25	cif/ Adding structures of 4131509 via cif-deposit CGI script.	4131509.cif