Crystallography Open Database

Information card for entry 4003373

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Coordinates	4003373.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CLF35
Formula	C6 H10 Br4 N2 Pb
Calculated formula	C6 H10 Br4 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	17.3765 ± 0.0003 Å
b	8.2397 ± 0.0001 Å
c	18.7056 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2678.21 ± 0.08 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	0.0458
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
231547 (current)	2019-11-22	cif/ Adding structures of 4003373 via cif-deposit CGI script.	4003373.cif