Crystallography Open Database

Information card for entry 7241456

Preview

Coordinates	7241456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Cl3 N3
Calculated formula	C6 H18 Cl3 N3
Title of publication	A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation
Authors of publication	Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	264 - 267
a	8.016 ± 0.0005 Å
b	8.016 ± 0.0005 Å
c	15.1863 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	845.08 ± 0.1 Å³
Cell temperature	403 ± 2 K
Ambient diffraction temperature	403 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.229
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
261624 (current)	2021-02-05	cif/ Updating files of 7241455, 7241456 Original log message: Adding full bibliography for 7241455--7241456.cif.	7241456.cif
259289	2020-11-29	cif/ Adding structures of 7241455, 7241456 via cif-deposit CGI script.	7241456.cif