Crystallography Open Database

Information card for entry 4102796

Preview

Coordinates	4102796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H144 Cu2 Ga16 N12 Se35 Sn2
Calculated formula	C60 H144 Cu2 Ga16 N12 Se35 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	18.8019 ± 0.0001 Å
b	18.8019 ± 0.0001 Å
c	18.8019 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6646.69 ± 0.06 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	0.0451
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	4102796.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102796.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102796.cif
25715	2011-09-14	../uploads/cif-deposit/cod/cif Adding structures of 4102796 via cif-deposit CGI script.	4102796.cif