Crystallography Open Database

Information card for entry 4003369

Preview

Coordinates	4003369.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CLF5b
Formula	C6 H10 I4 N2 Pb
Calculated formula	C6 H10 I4 N2 Pb
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	18.3568 ± 0.0004 Å
b	8.7037 ± 0.0002 Å
c	19.648 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3139.2 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
231543 (current)	2019-11-22	cif/ Adding structures of 4003369 via cif-deposit CGI script.	4003369.cif