Crystallography Open Database

Information card for entry 4102794

Preview

Coordinates	4102794.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(octakis(2-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)
Formula	C48 H112 Ga14 N8 Se33 Sn2 Zn4
Calculated formula	C10 Ga14 Se32.98 Sn2 Zn4
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	24.1584 ± 0.0012 Å
b	24.1584 ± 0.0012 Å
c	41.931 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	24472 ± 3 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	0.0839
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.1983
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4102794.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102794.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102794.cif
25713	2011-09-14	../uploads/cif-deposit/cod/cif Adding structures of 4102794 via cif-deposit CGI script.	4102794.cif