Crystallography Open Database

Information card for entry 4131707

Preview

Coordinates	4131707.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Guanidinium Methylammonium Lead Iodide
Formula	C2 H12 I4 N4 Pb
Calculated formula	C2 H14 I4 N4 Pb
Title of publication	New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.
Authors of publication	Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	45
Pages of publication	16297 - 16309
a	6.4286 ± 0.0006 Å
b	12.4577 ± 0.0009 Å
c	18.8258 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1507.7 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for significantly intense reflections	3.6
Goodness-of-fit parameter for all reflections included in the refinement	3.18
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
241876 (current)	2019-11-25	cif/ Adding structures of 4131707 via cif-deposit CGI script.	4131707.cif