Crystallography Open Database

Information card for entry 1573757

Preview

Coordinates	1573757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H10 I3 N O Pb
Calculated formula	C3 H10 I3 N O Pb
Title of publication	Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.
Authors of publication	Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	9
Pages of publication	4057 - 4065
a	4.5931 ± 0.0002 Å
b	11.6051 ± 0.0004 Å
c	22.0202 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1173.75 ± 0.08 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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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