Crystallography Open Database

Information card for entry 2105686

Preview

Coordinates	2105686.cif
Original IUCr paper	HTML

Structure parameters

Formula	C9 H18 N3 S6 Sb
Calculated formula	C9 H18 N3 S6 Sb
SMILES	[Sb]123([S]=C(S1)N(C)C)(SC(=[S]2)N(C)C)SC(=[S]3)N(C)C
Title of publication	Supramolecular association <i>via</i> Sb···S and C—H···S interactions in dimeric <i>tris</i>(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-<i>S</i>,<i>S</i>')antimony(III): an approach to overcome the concept of steric bulk on such interactions
Authors of publication	Chauhan, H. P. S.; Carpenter, Jaswant
Journal of publication	Acta Crystallographica Section B
Year of publication	2013
Journal volume	69
Journal issue	6
Pages of publication	613 - 620
a	10.8746 ± 0.0008 Å
b	11.2843 ± 0.0007 Å
c	15.0197 ± 0.0007 Å
α	99.886 ± 0.005°
β	96.852 ± 0.005°
γ	94.714 ± 0.005°
Cell volume	1792.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1644
Residual factor for significantly intense reflections	0.1432
Weighted residual factors for significantly intense reflections	0.3653
Weighted residual factors for all reflections included in the refinement	0.4007
Goodness-of-fit parameter for all reflections included in the refinement	1.422
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
188723 (current)	2016-11-28	cif/2 Fixing some Z values and formulae	2105686.cif
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105686.cif
92029	2014-01-12	cif/ Adding structures of 2105686 via cif-deposit CGI script.	2105686.cif