Crystallography Open Database

Information card for entry 7237941

Preview

Coordinates	7237941.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DMAPbBr_B - 6_T100K
Formula	C4 H16 Br6 N2 Pb2
Calculated formula	C4 H16 Br6 N2 Pb2
Title of publication	Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties
Authors of publication	García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	32
Pages of publication	10008
a	8.7631 ± 0.0004 Å
b	13.9568 ± 0.0006 Å
c	14.711 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1799.23 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2229
Weighted residual factors for all reflections included in the refinement	0.2577
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
238763 (current)	2019-11-24	cif/ Adding structures of 7237939, 7237940, 7237941 via cif-deposit CGI script.	7237941.cif