Crystallography Open Database

Information card for entry 1562752

Preview

Coordinates	1562752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 I8 Sn2
Calculated formula	C70.014 I8 Sn2
Title of publication	Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2
Authors of publication	Straus, Daniel B.; Cava, Robert J.
Journal of publication	Nano Letters
Year of publication	2021
a	17.1493 ± 0.0007 Å
b	17.1493 ± 0.0007 Å
c	17.1493 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5043.6 ± 0.4 Å³
Cell temperature	294.99 K
Ambient diffraction temperature	294.99 K
Number of distinct elements	3
Space group number	213
Hermann-Mauguin space group symbol	P 41 3 2
Hall space group symbol	P 4bd 2ab 3
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1562752.html