Crystallography Open Database

Information card for entry 7131726

Preview

Coordinates	7131726.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(C3H10N)3PbBr5
Formula	C9 H30 Br5 N3 Pb
Calculated formula	C9 H30 Br5 N3 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	8.6172 ± 0.0003 Å
b	11.8062 ± 0.0005 Å
c	21.5472 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2192.13 ± 0.15 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
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	0.047
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7131726.cif
284069	2023-05-31	cif/ Adding structures of 7131726, 7131727, 7131728 via cif-deposit CGI script.	7131726.cif