Crystallography Open Database

Information card for entry 7711259

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Coordinates	7711259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 I3 N O6 Pb
Calculated formula	C12 H28 I3 N O6 Pb
Title of publication	Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3
Authors of publication	Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming
Journal of publication	Dalton Transactions
Year of publication	2022
a	15.9371 ± 0.0006 Å
b	8.619 ± 0.0003 Å
c	17.0413 ± 0.0007 Å
α	90°
β	97.02 ± 0.001°
γ	90°
Cell volume	2323.28 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0468
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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