Crystallography Open Database

Information card for entry 8000395

Preview

Coordinates	8000395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Br4 Cd F4 N2
Calculated formula	C4 H12 Br4 Cd F4 N2
Title of publication	Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying.
Authors of publication	Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Journal volume	11
Journal issue	1
Pages of publication	199 - 205
a	7.8696 ± 0.0003 Å
b	7.664 ± 0.0002 Å
c	22.6439 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1365.71 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246583 (current)	2020-01-04	cif/ Updating files of 8000395 Original log message: Adding full bibliography for 8000395.cif.	8000395.cif
245416	2019-12-20	cif/ Adding structures of 8000395 via cif-deposit CGI script.	8000395.cif