Crystallography Open Database

Information card for entry 4134201

Preview

Coordinates	4134201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H36 I10 N4 Pb3
Calculated formula	C10 H36 I10 N4 Pb3
Title of publication	Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.
Authors of publication	Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	8
Pages of publication	4008 - 4021
a	52.209 ± 0.006 Å
b	8.9061 ± 0.0006 Å
c	8.94 ± 0.0011 Å
α	90°
β	90.002 ± 0.009°
γ	90°
Cell volume	4156.9 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1597
Residual factor for significantly intense reflections	0.1086
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for significantly intense reflections	5.38
Goodness-of-fit parameter for all reflections included in the refinement	4.78
Diffraction radiation probe	x-ray
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
248701 (current)	2020-03-04	cif/ Updating files of 4134198, 4134199, 4134200, 4134201 Original log message: Adding full bibliography for 4134198--4134201.cif.	4134201.cif
248239	2020-02-18	cif/ Adding structures of 4134201 via cif-deposit CGI script.	4134201.cif