Crystallography Open Database

Information card for entry 4122894

Preview

Coordinates	4122894.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Methylammonium Lead Iodide DMF solvate
Formula	C4 H13 I3 N2 O Pb
Calculated formula	C4 H13 I3 N2 O Pb
Title of publication	Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%
Authors of publication	Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141106073145004
a	4.576 ± 0.0002 Å
b	25.493 ± 0.0017 Å
c	12.2186 ± 0.0006 Å
α	90°
β	96.065 ± 0.004°
γ	90°
Cell volume	1417.39 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
179030 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28.	4122894.cif
126616	2014-11-07	cif/ Adding structures of 4122894 via cif-deposit CGI script.	4122894.cif