Crystallography Open Database

Information card for entry 7121436

Preview

Coordinates	7121436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Br4 N2 Pb
Calculated formula	C6 H18 Br4 N2 Pb
Title of publication	Highly efficient white-light emission in a polar two-dimensional hybrid perovskite.
Authors of publication	Wang, Sasa; Yao, Yunpeng; Kong, Jintao; Zhao, Sangen; Sun, Zhihua; Wu, Zhenyue; Li, Lina; Luo, Junhua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	32
Pages of publication	4053 - 4056
a	24.3476 ± 0.0013 Å
b	7.8717 ± 0.0005 Å
c	8.1932 ± 0.0005 Å
α	90°
β	99 ± 0.006°
γ	90°
Cell volume	1550.95 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
228083 (current)	2019-11-17	cif/ Updating files of 7121436 Original log message: Adding full bibliography for 7121436.cif.	7121436.cif
207081	2018-03-24	cif/ Adding structures of 7121436 via cif-deposit CGI script.	7121436.cif