Crystallography Open Database

Information card for entry 1565640

Preview

Coordinates	1565640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 Cl N O4
Calculated formula	C3 H8 Cl N O4
SMILES	Cl(=O)(=O)(=O)[O-].[NH3+]C1CC1
Title of publication	Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals.
Authors of publication	Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S.
Journal of publication	Nanoscale
Year of publication	2022
Journal volume	14
Journal issue	3
Pages of publication	675 - 679
a	8.1 ± 0.002 Å
b	8.269 ± 0.002 Å
c	9.997 ± 0.003 Å
α	90°
β	99.57 ± 0.03°
γ	90°
Cell volume	660.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1148
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	0.9533
Diffraction radiation probe	x-ray
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
272706 (current)	2022-02-04	cif/ Updating files of 1565640, 1565641 Original log message: Adding full bibliography for 1565640--1565641.cif.	1565640.cif
271314	2021-12-10	cif/ Adding structures of 1565640, 1565641 via cif-deposit CGI script.	1565640.cif