Crystallography Open Database

Information card for entry 4132980

Preview

Coordinates	4132980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H28 I7 N3 Pb2
Calculated formula	C9 H28 I7 N3 Pb2
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	38.089 ± 0.005 Å
b	8.9053 ± 0.0018 Å
c	8.9109 ± 0.0013 Å
α	90°
β	90 ± 0.012°
γ	90°
Cell volume	3022.5 ± 0.9 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	0.1536
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for significantly intense reflections	2.06
Goodness-of-fit parameter for all reflections included in the refinement	1.41
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
242832 (current)	2019-11-26	cif/ Adding structures of 4132980 via cif-deposit CGI script.	4132980.cif