Crystallography Open Database

Information card for entry 7229745

Preview

Coordinates	7229745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 B Br F4 N
Calculated formula	C4 H11 B Br F4 N
Title of publication	High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]
Authors of publication	Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	4
Pages of publication	454
a	6.149 ± 0.018 Å
b	8.012 ± 0.002 Å
c	9.507 ± 0.003 Å
α	90°
β	101.19 ± 0.02°
γ	90°
Cell volume	459.5 ± 1.4 Å³
Cell temperature	368 ± 2 K
Ambient diffraction temperature	368 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.3247
Residual factor for significantly intense reflections	0.2759
Weighted residual factors for significantly intense reflections	0.5531
Weighted residual factors for all reflections included in the refinement	0.5892
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
228996 (current)	2019-11-17	cif/ Updating files of 7229742, 7229743, 7229744, 7229745 Original log message: Adding full bibliography for 7229742--7229745.cif.	7229745.cif
204280	2017-12-15	cif/ Adding structures of 7229742, 7229743, 7229744, 7229745 via cif-deposit CGI script.	7229745.cif