Crystallography Open Database

Information card for entry 4003367

Preview

Coordinates	4003367.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CLE13
Formula	C24 H40 Cl16 N8 Pb4
Calculated formula	C24 H40 Cl16 N8 Pb4
Title of publication	Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties
Authors of publication	Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	18
Pages of publication	6289
a	18.105 ± 0.0008 Å
b	15.7555 ± 0.0006 Å
c	16.6214 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4741.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.0402
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231541 (current)	2019-11-22	cif/ Adding structures of 4003367 via cif-deposit CGI script.	4003367.cif