Crystallography Open Database

Information card for entry 4128705

Preview

Coordinates	4128705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 I N O4
Calculated formula	C6.9996 I O3.9996
Title of publication	Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.
Authors of publication	Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	23
Pages of publication	9349 - 9357
a	6.218 ± 0.01 Å
b	6.218 ± 0.01 Å
c	6.218 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	240.4 ± 0.7 Å³
Cell temperature	270 K
Ambient diffraction temperature	270 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	0.0497
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.311
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
221780 (current)	2019-11-03	cif/ Adding structures of 4128703, 4128704, 4128705 via cif-deposit CGI script.	4128705.cif