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 formula | C21 H18 As2 N4 S4 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.725(3) |
| Cell length b | 14.576(4) |
| Cell length c | 8.545(4) |
| Cell angle alpha | 93.58(3) |
| Cell angle beta | 90.85(4) |
| Cell angle gamma | 103.34(2) |
| Data collection temperature | 180(2) |
Refinement results
| Solution figure of merit | 0.0534 |
| 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)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
