Crystallography Open Database

Information card for entry 4131706

Preview

Coordinates	4131706.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Guanidinium Methylammonium Lead Iodide
Formula	C3 H18 I7 N5 Pb2
Calculated formula	C3 H18 I7 N5 Pb2
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	6.3729 ± 0.0004 Å
b	12.5435 ± 0.0008 Å
c	31.376 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2508.1 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	38
Hermann-Mauguin space group symbol	B m m 2
Hall space group symbol	B 2 -2
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for significantly intense reflections	2.66
Goodness-of-fit parameter for all reflections included in the refinement	2.19
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
241875 (current)	2019-11-25	cif/ Adding structures of 4131706 via cif-deposit CGI script.	4131706.cif