Crystallography Open Database

Information card for entry 7134434

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Coordinates	7134434.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cesium guanidinium lead tetraiodide
Formula	C H6 Cs I4 N3 Pb
Calculated formula	C H6 Cs I4 N3 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	18.5595 ± 0.0004 Å
b	12.7464 ± 0.0003 Å
c	12.2365 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2894.75 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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

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