Crystallography Open Database

Information card for entry 1548494

Preview

Coordinates	1548494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Br4 O4 Pb3
Calculated formula	C4 H4 Br4 O4 Pb3
SMILES	[Pb+2].[Pb+2].[Pb+2].[Br-].[Br-].[Br-].[Br-].O=C([O-])CC(=O)[O-]
Title of publication	Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.
Authors of publication	Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	6
Pages of publication	1627 - 1633
a	8.2193 ± 0.0007 Å
b	14.718 ± 0.0012 Å
c	10.7344 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1298.56 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2209
Weighted residual factors for all reflections included in the refinement	0.2268
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
228731 (current)	2019-11-17	cif/ Updating files of 1548493, 1548494, 1548495 Original log message: Adding full bibliography for 1548493--1548495.cif.	1548494.cif
204381	2017-12-20	cif/ Adding structures of 1548493, 1548494, 1548495 via cif-deposit CGI script.	1548494.cif