Crystallography Open Database

Information card for entry 4117644

Preview

Coordinates	4117644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H360 Ge27.49 N48 Se132 Sn32.51
Calculated formula	C192 H360 Ge27.494 N48 Se132 Sn32.506
Title of publication	"Zeoball" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape
Authors of publication	Yumei Lin; Werner Massa; Stefanie Dehnen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4497 - 4500
a	24.3196 ± 0.0011 Å
b	24.4009 ± 0.0009 Å
c	26.7435 ± 0.001 Å
α	115.848 ± 0.003°
β	97.969 ± 0.003°
γ	108.901 ± 0.003°
Cell volume	12761.4 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2422
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	0.741
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
178947 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/76.	4117644.cif
74765	2013-03-03	cif/ Adding structures of 4117644 via cif-deposit CGI script.	4117644.cif