Crystallography Open Database

Information card for entry 4079041

Preview

Coordinates	4079041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 Al Cl3 P2 S2 Sn
Calculated formula	C19 H14 Al Cl3 P2 S2 Sn
SMILES	[Al](C12[Sn]3[S]=P1(c1ccccc1)c1ccccc1P2(c1ccccc1)=[S]3)(Cl)(Cl)Cl
Title of publication	Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds
Authors of publication	Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6538
a	8.603 ± 0.0004 Å
b	16.4257 ± 0.0007 Å
c	16.4348 ± 0.0007 Å
α	90°
β	96.09 ± 0.002°
γ	90°
Cell volume	2309.3 ± 0.18 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178679 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/90.	4079041.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079041.cif
72290	2013-01-21	cif/ Adding structures of 4079036, 4079037, 4079038, 4079039, 4079040, 4079041, 4079042 via cif-deposit CGI script.	4079041.cif