Crystallography Open Database

Information card for entry 1572858

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Coordinates	1572858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 I6 N2 O Pb2
Calculated formula	C4 H14 I6 N2 O Pb2
Title of publication	A Three-Dimensional Lead Iodide Perovskite Analog Featuring Hydrogen-bonded Dual Monovalent Cations
Authors of publication	Wang, Wei; Liu, Cheng-Dong; Fan, Chang-Chun; Zhang, Wen
Journal of publication	Chemical Science
Year of publication	2024
a	6.3366 ± 0.0003 Å
b	16.1613 ± 0.0007 Å
c	10.1821 ± 0.0004 Å
α	90°
β	93.579 ± 0.004°
γ	90°
Cell volume	1040.69 ± 0.08 Å³
Cell temperature	152.98 ± 0.1 K
Ambient diffraction temperature	152.98 ± 0.1 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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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