Crystallography Open Database

Information card for entry 4102799

Preview

Coordinates	4102799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H144 Cu2 Ga16 N12 S35 Sn2
Calculated formula	C60 H144 Cu2 Ga16 N12 S35 Sn2
Title of publication	Largest Molecular Clusters in the Supertetrahedral Tn Series
Authors of publication	Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10823 - 10831
a	18.428 ± 0.0003 Å
b	18.428 ± 0.0003 Å
c	18.428 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6257.99 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178773 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27.	4102799.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102799.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102799.cif
25718	2011-09-14	../uploads/cif-deposit/cod/cif Adding structures of 4102799 via cif-deposit CGI script.	4102799.cif