Crystallography Open Database

Information card for entry 1550823

Preview

Coordinates	1550823.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hydroxylammonium lead iodide
Formula	C6 H20 I3 N O3 Pb S
Calculated formula	C6 H20 I3 N O3 Pb S
Title of publication	Synthesis, physico-chemical characterization and structure of the elusive hydroxylammonium lead iodide perovskite NH<sub>3</sub>OHPbI<sub>3</sub>.
Authors of publication	D'Annibale, Andrea; Panetta, Riccardo; Tarquini, Ombretta; Colapietro, Marcello; Quaranta, Simone; Cassetta, Alberto; Barba, Luisa; Chita, Giuseppe; Latini, Alessandro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	16
Pages of publication	5397 - 5407
a	7.92 ± 0.006 Å
b	9.03 ± 0.004 Å
c	10.77 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	770.2 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	51
Hermann-Mauguin space group symbol	P m m a
Hall space group symbol	-P 2a 2a
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224191 (current)	2019-11-08	cif/ Updating files of 1550823 Original log message: Adding full bibliography for 1550823.cif.	1550823.cif
214440	2019-04-02	cif/ Adding structures of 1550823 via cif-deposit CGI script.	1550823.cif