Crystallography Open Database

Information card for entry 1562678

Preview

Coordinates	1562678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H23 Br3 N2 O Pb
Calculated formula	C10 H23 Br3 N2 O 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	10.2578 ± 0.0008 Å
b	23.1688 ± 0.0018 Å
c	7.7621 ± 0.0006 Å
α	90°
β	101.481 ± 0.001°
γ	90°
Cell volume	1807.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.0041
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
265760 (current)	2021-06-04	cif/ Updating files of 1562675, 1562676, 1562677, 1562678 Original log message: Adding full bibliography for 1562675--1562678.cif.	1562678.cif
265320	2021-05-19	cif/ Adding structures of 1562675, 1562676, 1562677, 1562678 via cif-deposit CGI script.	1562678.cif