Crystallography Open Database

Information card for entry 4117643

Preview

Coordinates	4117643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H408 Ge24 N48 Se132 Sn36
Calculated formula	C189 H357 Ge24 N42 Se132 Sn36
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	37.1296 ± 0.0008 Å
b	36.288 ± 0.0007 Å
c	37.2869 ± 0.0007 Å
α	90°
β	92.074 ± 0.002°
γ	90°
Cell volume	50205.9 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1875
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	0.911
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4117643.cif
74764	2013-03-03	cif/ Adding structures of 4117643 via cif-deposit CGI script.	4117643.cif