Crystallography Open Database

Information card for entry 7247228

Preview

Coordinates	7247228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 Br3 F N Pb
Calculated formula	C5 H11 Br3 F N Pb
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	7.8341 ± 0.0005 Å
b	10.1533 ± 0.0006 Å
c	14.2642 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1134.6 ± 0.12 Å³
Cell temperature	293 ± 10 K
Ambient diffraction temperature	293 ± 10 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
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.	7247228.cif
285824	2023-08-22	cif/ Adding structures of 7247228, 7247229 via cif-deposit CGI script.	7247228.cif