Crystallography Open Database

Information card for entry 4003007

Preview

Coordinates	4003007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H14 I4 N4 Pb
Calculated formula	C2 H14 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	18.466 ± 0.0007 Å
b	19.0768 ± 0.0011 Å
c	12.638 ± 0.001 Å
α	89.996 ± 0.004°
β	90.032 ± 0.005°
γ	90.004 ± 0.005°
Cell volume	4452 ± 0.5 Å³
Cell temperature	99.98 ± 0.13 K
Ambient diffraction temperature	99.98 ± 0.13 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.2072
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
220430 (current)	2019-10-29	cif/ Adding structures of 4003007 via cif-deposit CGI script.	4003007.cif