Crystallography Open Database

Information card for entry 4079039

Preview

Coordinates	4079039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cl4 P4 S4 Sn2
Calculated formula	C40 H32 Cl4 P4 S4 Sn2
SMILES	[P@@]1(=S)(C23[Sn](C45[P@@](c6ccccc6)(c6ccccc6[P@@]4(=S)c4ccccc4)=[S][Sn]35)[S]=[P@@]2(c2ccccc2)c2ccccc12)c1ccccc1.C(Cl)Cl.C(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	11.2215 ± 0.0002 Å
b	16.6052 ± 0.0004 Å
c	23.0812 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4300.84 ± 0.16 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4079039.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079039.cif
72290	2013-01-21	cif/ Adding structures of 4079036, 4079037, 4079038, 4079039, 4079040, 4079041, 4079042 via cif-deposit CGI script.	4079039.cif