Crystallography Open Database

Information card for entry 1548493

Preview

Coordinates	1548493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 Br Cl0 O2 Pb
Calculated formula	C3 H4 Br O2 Pb
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	9.0035 ± 0.0013 Å
b	9.0035 ± 0.0013 Å
c	14.39 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1166.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0601
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	1548493.cif
204381	2017-12-20	cif/ Adding structures of 1548493, 1548494, 1548495 via cif-deposit CGI script.	1548493.cif