Crystallography Open Database

Information card for entry 7239759

Preview

Coordinates	7239759.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(C10H16N)2MnBr4
Formula	C20 H32 Br4 Mn N2
Calculated formula	C20 H32 Br4 Mn N2
Title of publication	An organic‒inorganic hybrid ferroelectric with strong luminescence and high Curie temperature
Authors of publication	Fu, Hanmei; Jiang, Chunli; Lao, Jie; Luo, Chunhua; Lin, Hechun; Peng, Hui; Duan, Chun-Gang
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	8
Pages of publication	1436 - 1441
a	9.588 ± 0.0012 Å
b	9.1464 ± 0.0013 Å
c	15.181 ± 0.003 Å
α	90°
β	95.161 ± 0.013°
γ	90°
Cell volume	1325.9 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257440 (current)	2020-10-06	cif/ Updating files of 7239759 Original log message: Adding full bibliography for 7239759.cif.	7239759.cif
248899	2020-03-05	cif/ Updating files of 7239759 Original log message: Adding full bibliography for 7239759.cif.	7239759.cif
246893	2020-01-16	cif/ Adding structures of 7239759 via cif-deposit CGI script.	7239759.cif