Crystallography Open Database

Information card for entry 8000500

Preview

Coordinates	8000500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H30 Br7 N3 Pb2
Calculated formula	C9 H30 Br7 N3 Pb2
Title of publication	Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.
Authors of publication	Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Journal volume	12
Journal issue	20
Pages of publication	4965 - 4971
a	39.173 ± 0.004 Å
b	8.3835 ± 0.0005 Å
c	8.3225 ± 0.0005 Å
α	90°
β	90.789 ± 0.007°
γ	90°
Cell volume	2732.9 ± 0.4 Å³
Cell temperature	296.1 ± 0.2 K
Ambient diffraction temperature	296.1 ± 0.2 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	0.1291
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2059
Weighted residual factors for all reflections included in the refinement	0.2557
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
265764 (current)	2021-06-04	cif/ Updating files of 8000498, 8000499, 8000500 Original log message: Adding full bibliography for 8000498--8000500.cif.	8000500.cif
265393	2021-05-21	cif/ Adding structures of 8000500 via cif-deposit CGI script.	8000500.cif