Crystallography Open Database

Information card for entry 1572408

Preview

Coordinates	1572408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H13 Br4 Cl Ga N
Calculated formula	C5 H13 Br4 Cl Ga N
Title of publication	Achievement of a giant electromechanical conversion coefficient in a molecule-based ferroelectric.
Authors of publication	Wang, Bin; Li, Zhirui; Tang, Zhengxiao; Zhao, Haixia; Long, Lasheng; Zheng, Lansun
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	37
Pages of publication	15192 - 15197
a	14.0655 ± 0.0008 Å
b	7.6705 ± 0.0005 Å
c	13.2164 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1425.91 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1806
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295172 (current)	2024-10-06	cif/ Updating files of 1572408 Original log message: Adding full bibliography for 1572408.cif.	1572408.cif
294245	2024-08-29	cif/ Adding structures of 1572408 via cif-deposit CGI script.	1572408.cif