Crystallography Open Database

Information card for entry 4102793

Preview

Coordinates	4102793.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(tetrakis(1,1'-Methylenedipiperidinium) tritriaconta-selenido-hexadeca-gallium-di-copper-di-tin)
Formula	C44 H96 Cu2 Ga16 N8 Se33 Sn2
Calculated formula	Cu2 Ga16 Se33 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	23.9286 ± 0.0002 Å
b	23.9286 ± 0.0002 Å
c	42.0821 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	24095.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1873
Weighted residual factors for all reflections included in the refinement	0.272
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4102793.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102793.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102793.cif
25712	2011-09-14	../uploads/cif-deposit/cod/cif Adding structures of 4102793 via cif-deposit CGI script.	4102793.cif