Crystallography Open Database

Information card for entry 7134435

Preview

Coordinates	7134435.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Guanidinium lead(II) tetraiodide
Formula	C2 H12 I4 N6 Pb
Calculated formula	C2 H12 I4 N6 Pb
Title of publication	Effect of pressure and temperature on the structure and optical properties of two-dimensional lead iodide perovskites
Authors of publication	Drushliak, Viktoriia; Szafrański, Marek
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	44
Pages of publication	8019 - 8022
a	12.843 ± 0.004 Å
b	27.036 ± 0.004 Å
c	9.2962 ± 0.0006 Å
α	90°
β	90.783 ± 0.011°
γ	90°
Cell volume	3227.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Cell measurement pressure	10000 ± 10000 kPa
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1863
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.2116
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
300415 (current)	2025-07-06	cif/ Updating files of 7134427, 7134428, 7134429, 7134430, 7134431, 7134432, 7134433, 7134434, 7134435, 7134436, 7134437, 7134438, 7134439, 7134440, 7134441, 7134442, 7134443, 7134444 Original log message: Adding full bibliography for 7134427--7134444.cif.	7134435.cif
299368	2025-04-24	cif/ Adding structures of 7134427, 7134428, 7134429, 7134430, 7134431, 7134432, 7134433, 7134434, 7134435, 7134436, 7134437, 7134438, 7134439, 7134440, 7134441, 7134442, 7134443, 7134444 via cif-deposit CGI script.	7134435.cif