Crystallography Open Database

Information card for entry 4514571

Preview

Coordinates	4514571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I3.62 Pb1.12
Calculated formula	I3.62 Pb1.12
Title of publication	Enhanced Stability and Band Gap Tuning of α-[HC(NH<sub>2</sub>)<sub>2</sub>]PbI<sub>3</sub> Hybrid Perovskite by Large Cation Integration.
Authors of publication	Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	23
Pages of publication	20743 - 20751
a	14.471 ± 0.008 Å
b	14.471 ± 0.007 Å
c	6.448 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1350.3 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	83
Hermann-Mauguin space group symbol	P 4/m
Hall space group symbol	-P 4
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
219756 (current)	2019-10-28	cif/ Adding structures of 4514571, 4514572 via cif-deposit CGI script.	4514571.cif