Crystallography Open Database

Information card for entry 4003006

Preview

Coordinates	4003006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H14 I4 N4 Pb
Calculated formula	C2 H12.9572 I4 N4 Pb
Title of publication	Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions
Authors of publication	Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	20
Pages of publication	8563
a	18.6809 ± 0.0009 Å
b	19.188 ± 0.003 Å
c	12.7644 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4575.4 ± 0.8 Å³
Cell temperature	280 ± 0.1 K
Ambient diffraction temperature	280 ± 0.1 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220429 (current)	2019-10-29	cif/ Adding structures of 4003006 via cif-deposit CGI script.	4003006.cif