Crystallography Open Database

Information card for entry 4134199

Preview

Coordinates	4134199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H40 I10 N4 Pb3
Calculated formula	C12 H40 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	52.169 ± 0.006 Å
b	8.9731 ± 0.0006 Å
c	8.9417 ± 0.0011 Å
α	90°
β	90.073 ± 0.009°
γ	90°
Cell volume	4185.8 ± 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	0.0851
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for significantly intense reflections	4.89
Goodness-of-fit parameter for all reflections included in the refinement	4.59
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.	4134199.cif
248236	2020-02-18	cif/ Adding structures of 4134199 via cif-deposit CGI script.	4134199.cif