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(2-(Phenyliminomethyl)phenyl)-(trifluoroacetato)-(triphenylphosphine)-palladium

Sample Originator: V. J. M. Scordia, Michael B. Hursthouse, Thomas Gelbrich, Simon J. Coles, C. S. J. Cazin and R. B. Bedford.

C33H25F3NO2PPd

InChI=1/C18H15P.C13H10N.C2HF3O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;3-2(4,5)1(6)7;/h1-15H;1-7,9-11H;(H,6,7);/q;-1;;+2/p-1

Identification Number:10.5258/ecrystals/73
Date Created:30 March 2001
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Depositor Comments

Triarylphosphine and arsine adducts of imine- and amine-based palladacycles have been produced and the crystal structures of three examples have been determined, as has the structure of a parent imine-based palladacycle. The complexes were tested in the Suzuki coupling of an electronically deactivated aryl bromide and the phosphine adducts were found to show much greater activity than the parent palladacycles. Triarylphosphine adducts are preferable to trialkylphosphine adducts as they not only show higher activity but they are also more easily synthesised. DOI: 10.1039/b304053d

Data collection parameters

Chemical formulaC33 H25 F3 N O2 P Pd
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a9.911(2)
Cell length b29.932(6)
Cell length c9.907(2)
Cell angle alpha90.00
Cell angle beta104.20(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit0.0608
R Factor (Obs)0.0429
R Factor (All)0.0493
Weighted R Factor (Obs)0.1154
Weighted R Factor (All)0.1188

Citation: Scordia, V. J. M. and Hursthouse, Michael B. and Gelbrich, Thomas and Coles, Simon J. and Cazin, C. S. J. and Bedford, R. B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/73)
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Available Files

Final Result

01src322.CIF19k
01src322.cml9k

Validation

01src322_checkcif.htm9k

Refinement

01src322.res10k
01src322_xl.lst52k

Solution

01src322_xs.lst56k

Processing

01src322.HKL463k

Other Files

01src322.doc57k
01src322.mol5k
01src322_ellipsoid.gif22k

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