Crystallography Open Database

Information card for entry 7233937

Preview

Coordinates	7233937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Cl N O4
Calculated formula	C6 H16 Cl N O4
SMILES	Cl(=O)(=O)(=O)[O-].[NH2+](C(C)C)C(C)C
Title of publication	Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate
Authors of publication	Kaige Gao; Minqiang Gu; Xiangbiao Qiu; X. N. Ying; Heng-Yun Ye; Yi Zhang; Jinglan Sun; Xiangjian Meng; F. M. Zhang; Di Wu; Hong-Ling Cai; X. S. Wu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	9957 - 9963
a	8.15 ± 0.03 Å
b	8.52 ± 0.04 Å
c	8.77 ± 0.03 Å
α	82.77 ± 0.19°
β	65.14 ± 0.13°
γ	79.9 ± 0.2°
Cell volume	543 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1572
Residual factor for significantly intense reflections	0.1098
Weighted residual factors for significantly intense reflections	0.2912
Weighted residual factors for all reflections included in the refinement	0.345
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
218436 (current)	2019-09-18	cif/ Adding structures of 7233937 via cif-deposit CGI script.	7233937.cif