Crystallography Open Database

Information card for entry 7131727

Preview

Coordinates	7131727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 Br4 F6 N2 Pb
Calculated formula	C6 H14 Br4 F6 N2 Pb
Title of publication	Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites.
Authors of publication	Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	52
Pages of publication	8111 - 8114
a	7.9087 ± 0.0002 Å
b	8.9042 ± 0.0003 Å
c	24.2405 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1707.03 ± 0.09 Å³
Cell temperature	199.99 ± 0.1 K
Ambient diffraction temperature	199.99 ± 0.1 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 2 21 21
Hall space group symbol	P 2bc 2
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
284839 (current)	2023-07-05	cif/ Updating files of 7131726, 7131727, 7131728 Original log message: Adding full bibliography for 7131726--7131728.cif.	7131727.cif
284069	2023-05-31	cif/ Adding structures of 7131726, 7131727, 7131728 via cif-deposit CGI script.	7131727.cif