Crystallography Open Database

Information card for entry 7135189

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Coordinates	7135189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Fe I3 Pb
Calculated formula	C10 H10 Fe0.833333 I3 Pb
Title of publication	A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.
Authors of publication	Xu, Zhe-Kun; Wang, Zhong-Xia
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	81
Pages of publication	15810 - 15813
a	19.1013 ± 0.0004 Å
b	18.1903 ± 0.0004 Å
c	13.8623 ± 0.0003 Å
α	90°
β	92.82 ± 0.002°
γ	90°
Cell volume	4810.74 ± 0.18 Å³
Cell temperature	221 ± 3 K
Ambient diffraction temperature	221 ± 3 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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

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