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bis(bis(2-Pyridylthio)arsino)methane

Sample Originator: J. E. Davies, Michael B. Hursthouse, Simon J. Coles, J. S. Joy and M. A. Paver.

C21H18As2N4S4

InChI=1/C21H18As2N4S4/c1-5-13-24-18(9-1)28-22(29-19-10-2-6-14-25-19)17-23(30-20-11-3-7-15-26-20)31-21-12-4-8-16-27-21/h1-16H,17H2

Identification Number:10.5258/ecrystals/82
Controlled Keywords:Stibine, Arsine, Synthesis, X-ray structures, -Stacking, Group 15
Date Created:15 February 2001
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Depositor Comments

A series of dinuclear organo-functionalised stibine and arsine ligands incorporating a range of hard, soft and -donor moieties have been synthesised from the reactions of Cl2Sb(CH2)3SbCl2 and Cl2AsCH2AsCl2 with a range of organolithium reagents. The X-ray structures of 1,3-[(PhCC)2Sb]2(CH2)3 (1), As(CCPh)3 (2), R2AsCH2AsR2 [R=Me3SiCC, 3; (Me3Si)2N, 4; and 2-SPy 5] have been determined. Compound 5 associates into pseudo dimers as a result of intermolecular – stacking between the pyridyl groups on one end of two separate diarsine molecules. Whereas the bridging unit remains intact during the syntheses of 1 and 3–5, the formation of the mononuclear trisacetylide species 2, involves the unexplained cleavage of the bridging methylene unit.

Data collection parameters

Chemical formulaC21 H18 As2 N4 S4
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.725(3)
Cell length b14.576(4)
Cell length c8.545(4)
Cell angle alpha93.58(3)
Cell angle beta90.85(4)
Cell angle gamma103.34(2)
Data collection temperature180(2)

Refinement results

Solution figure of merit0.0534
R Factor (Obs)0.0458
R Factor (All)0.0752
Weighted R Factor (Obs)0.0918
Weighted R Factor (All)0.1027

Citation: Davies, J. E. and Hursthouse, Michael B. and Coles, Simon J. and Joy, J. S. and Paver, M. A. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/82)
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Available Files

Final Result

dw9810.cif17k
dw9810.cml7k

Validation

dw9810_checkcif.htm8k

Refinement

dw9810.res7k
dw9810_xl.lst63k

Solution

dw9810_xs.lst94k

Processing

dw9810.hkl167k

Other Files

dw9810.mol4k
dw9810_ellipsoid.gif23k

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