Crystallography Open Database

Information card for entry 4127643

Preview

Coordinates	4127643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H108 I25 N11 O Pb7
Calculated formula	C31 H106 I25 N11 O0.38 Pb7
Title of publication	From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.
Authors of publication	Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	27
Pages of publication	10661 - 10676
a	19.201 ± 0.0017 Å
b	8.8414 ± 0.0005 Å
c	37.707 ± 0.003 Å
α	90°
β	119.351 ± 0.009°
γ	90°
Cell volume	5579.6 ± 0.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.3456
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for significantly intense reflections	0.96
Goodness-of-fit parameter for all reflections included in the refinement	0.3
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
220849 (current)	2019-11-02	cif/ Adding structures of 4127643 via cif-deposit CGI script.	4127643.cif