Crystallography Open Database

Information card for entry 7056458

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Coordinates	7056458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H5.75 I22 N12 O3 Pb5
Calculated formula	C36 H60 I22 N12 O3 Pb5
Title of publication	Reversible solid-state thermochromism of a 2D organic-inorganic hybrid perovskite structure based on iodoplumbate and 2-aminomethyl-pyridine
Authors of publication	Yu, Hui; Wei, Zhenhong; Hao, Yanhuan; Liang, Zhiwen; Fu, Zhengjiang; Cai, Hu
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	18
Pages of publication	9586 - 9589
a	26.628 ± 0.006 Å
b	12.917 ± 0.003 Å
c	26.346 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	9062 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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