Crystallography Open Database

Information card for entry 4003372

Preview

Coordinates	4003372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 I22 N12 O3 Pb5
Calculated formula	C36 H66 I22 N12 O3 Pb5
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	26.3268 ± 0.0008 Å
b	12.8308 ± 0.0004 Å
c	26.0929 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8814 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0258
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
231546 (current)	2019-11-22	cif/ Adding structures of 4003372 via cif-deposit CGI script.	4003372.cif