Crystallography Open Database

Information card for entry 8000559

Preview

Coordinates	8000559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 I3 N O2 Pb
Calculated formula	C4 H10 I3 N O2 Pb
Title of publication	Thermochromism Perovskite (COOH(CH<sub>2</sub>)<sub>3</sub>NH<sub>3</sub>)<sub>2</sub>PbI<sub>4</sub> Crystals: Single-Crystal to Single-Crystal Phase Transition and Excitation-Wavelength-Dependent Emission.
Authors of publication	Xie, Guanying; Wang, Lei; Ju, Dianxing; Yao, Changlin; Wang, Xinyuan; Song, Shuhong; Qu, Yaqian; Li, Huimin; Tao, Xutang
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Pages of publication	214 - 221
a	23.605 ± 0.007 Å
b	9.002 ± 0.002 Å
c	21.707 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4613 ± 2 Å³
Cell temperature	425 ± 2 K
Ambient diffraction temperature	425 ± 2 K
Number of distinct elements	6
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.2129
Residual factor for significantly intense reflections	0.1384
Weighted residual factors for significantly intense reflections	0.318
Weighted residual factors for all reflections included in the refinement	0.3585
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271784 (current)	2022-01-04	cif/ Adding structures of 8000559 via cif-deposit CGI script.	8000559.cif