Crystallography Open Database

Information card for entry 4132979

Preview

Coordinates	4132979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H24 I4 N2 Pb
Calculated formula	C9 H24 I4 N2 Pb
Title of publication	Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).
Authors of publication	Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	38
Pages of publication	12226 - 12238
a	26.918 ± 0.003 Å
b	8.7853 ± 0.0007 Å
c	8.7627 ± 0.0009 Å
α	90°
β	92.835 ± 0.009°
γ	90°
Cell volume	2069.7 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0434
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for significantly intense reflections	2.17
Goodness-of-fit parameter for all reflections included in the refinement	2.07
Diffraction radiation probe	x-ray
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
242831 (current)	2019-11-26	cif/ Adding structures of 4132979 via cif-deposit CGI script.	4132979.cif