Crystallography Open Database

Information card for entry 7133087

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Coordinates	7133087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 I3 N Pb
Calculated formula	C5 H12 I3 N Pb
Title of publication	Formation of iminium ions during the processing of metal halide perovskites.
Authors of publication	Möbs, Jakob; Tomori, Ajna; Heine, Johanna
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	51
Pages of publication	6488 - 6491
a	16.745 ± 0.004 Å
b	16.745 ± 0.004 Å
c	8.387 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2036.6 ± 1 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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