Crystallography Open Database

Information card for entry 1562677

Preview

Coordinates	1562677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Br3 N2 Pb
Calculated formula	C7 H12 Br3 N2 Pb
Title of publication	Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission
Authors of publication	Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	20
Pages of publication	10850 - 10859
a	17.6424 ± 0.0002 Å
b	7.7315 ± 0.0001 Å
c	19.1592 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2613.36 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
265760 (current)	2021-06-04	cif/ Updating files of 1562675, 1562676, 1562677, 1562678 Original log message: Adding full bibliography for 1562675--1562678.cif.	1562677.cif
265320	2021-05-19	cif/ Adding structures of 1562675, 1562676, 1562677, 1562678 via cif-deposit CGI script.	1562677.cif