Crystallography Open Database

Information card for entry 7247229

Preview

Coordinates	7247229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 Br8 F8 N4 Pb2
Calculated formula	C20 H40 Br8 F8 N4 Pb2
Title of publication	Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites
Authors of publication	Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	35
Pages of publication	5029 - 5034
a	12.205 ± 0.0003 Å
b	12.205 ± 0.0003 Å
c	51.295 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7641 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
286744 (current)	2023-10-06	cif/ Updating files of 7247228, 7247229 Original log message: Adding full bibliography for 7247228--7247229.cif.	7247229.cif
285824	2023-08-22	cif/ Adding structures of 7247228, 7247229 via cif-deposit CGI script.	7247229.cif