Crystallography Open Database

Information card for entry 4132051

4132050 << 4132051 >> 4132052

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Coordinates	4132051.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	27% ethylenediamonium formamidinium lead iodide
Formula	C H5 I3 N2 Pb0.96
Calculated formula	C H5 I3 N2 Pb0.96
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	6.3652 ± 0.0019 Å
b	9.002 ± 0.002 Å
c	9.0065 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	516.1 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	38
Hermann-Mauguin space group symbol	A m m 2
Hall space group symbol	A 2 -2
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2264
Goodness-of-fit parameter for significantly intense reflections	3.9
Goodness-of-fit parameter for all reflections included in the refinement	3.02
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
242093 (current)	2019-11-25	cif/ Adding structures of 4132051 via cif-deposit CGI script.	4132051.cif