Crystallography Open Database

Information card for entry 4003236

Preview

Coordinates	4003236.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bytulammonium Methylammonium Lead iodide
Formula	C11 H42 I13 N5 Pb4
Calculated formula	C11 H42 I13 N5 Pb4
Title of publication	Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors
Authors of publication	Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	8
Pages of publication	2852
a	8.9274 ± 0.0004 Å
b	64.383 ± 0.003 Å
c	8.8816 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5104.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	40
Hermann-Mauguin space group symbol	C c 2 m
Hall space group symbol	C -2c -2c
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
231452 (current)	2019-11-22	cif/ Adding structures of 4003234, 4003235, 4003236 via cif-deposit CGI script.	4003236.cif