Crystallography Open Database

Information card for entry 4131705

Preview

Coordinates	4131705.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Guanidinium Methylammonium Lead Iodide
Formula	C4 H24 I10 N6 Pb3
Calculated formula	C4 H24 I10 N6 Pb3
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	6.352 ± 0.0007 Å
b	12.4378 ± 0.0009 Å
c	43.97 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3473.8 ± 0.5 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	0.0863
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for significantly intense reflections	3.4
Goodness-of-fit parameter for all reflections included in the refinement	2.8
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
241874 (current)	2019-11-25	cif/ Adding structures of 4131705 via cif-deposit CGI script.	4131705.cif