Crystallography Open Database

Information card for entry 4134561

Preview

Coordinates	4134561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 I6 N2 Pb2
Calculated formula	C6 H10 I6 N2 Pb2
Title of publication	Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse.
Authors of publication	Li, Xiaotong; He, Yihui; Kepenekian, Mikaël; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	25.696 ± 0.005 Å
b	10.153 ± 0.002 Å
c	16.283 ± 0.003 Å
α	90°
β	90.036°
γ	90°
Cell volume	4248.1 ± 1.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	I 1 a 1
Hall space group symbol	I -2ya
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for significantly intense reflections	2.25
Goodness-of-fit parameter for all reflections included in the refinement	2.12
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
249751 (current)	2020-03-27	cif/ Adding structures of 4134561 via cif-deposit CGI script.	4134561.cif