Crystallography Open Database

Information card for entry 4132055

4132054 << 4132055 >> 4132056

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Coordinates	4132055.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	29% ethylenediamonium methylamonium lead iodide
Formula	C H0 I3 N Pb0.854
Calculated formula	C I3 N0.9996 Pb0.854
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	6.3338 ± 0.0018 Å
b	6.3338 ± 0.0018 Å
c	6.3338 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	254.09 ± 0.13 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for significantly intense reflections	2.89
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
242097 (current)	2019-11-25	cif/ Adding structures of 4132055 via cif-deposit CGI script.	4132055.cif