Crystallography Open Database

Information card for entry 4132049

4132048 << 4132049 >> 4132050

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Coordinates	4132049.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	39% ethylenediamonium formamidinium lead iodide
Formula	C H0 I3 N2 Pb0.755
Calculated formula	C I3 N2 Pb0.755
Title of publication	Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites.
Authors of publication	Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	17
Pages of publication	5728 - 5742
a	9.0452 ± 0.0008 Å
b	9.0452 ± 0.0008 Å
c	6.4036 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	523.91 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	127
Hermann-Mauguin space group symbol	P 4/m b m
Hall space group symbol	-P 4 2ab
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for significantly intense reflections	3.01
Goodness-of-fit parameter for all reflections included in the refinement	2.86
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
242091 (current)	2019-11-25	cif/ Adding structures of 4132049 via cif-deposit CGI script.	4132049.cif