Crystallography Open Database

Information card for entry 7062852

Preview

Coordinates	7062852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Br4 Fe N
Calculated formula	C6 H16 Br4 Fe N
Title of publication	High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap
Authors of publication	Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	44
Pages of publication	20619 - 20625
a	8.769 ± 0.003 Å
b	12.709 ± 0.004 Å
c	13.551 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1510.2 ± 0.9 Å³
Cell temperature	400 K
Ambient diffraction temperature	400 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.2296
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7062852.html