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C~116~H~96~C~l6~O~2~P~4~Pd~5~S~4~

Sample Originator: Athanasia Dervisia.

Data Collection: Peter N. Hortonb, Michael B. Hursthouseb and Simon J. Colesb

Structure Determination: Peter N. Hortonb.

Cardiff Universitya
University of Southamptonb

C116H100Cl6O2P4Pd5S4

InChI=1/4C29H24PS.6ClH.2O.5Pd/c4*31-29(20-30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)19-27-23-15-7-9-17-25(23)28(29)26-18-10-8-16-24(26)27;;;;;;;;;;;;;/h4*1-18,27-28H,19-20H2;6*1H;;;;;;;/q;;;;;;;;;;;;2*-2;3*+2/p-2/t4*27-,28+,29-;;;;;;;;;;;;;/m1100............./s1

Controlled Keywords:chiral compounds, palladium compounds
Date Created:03 October 2005
Deposited On:03 Sep 2015 16:46
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC116 H100 Cl6 O2 P4 Pd5 S4
Crystal morphologyCut Block
Crystal systemTetragonal
Space group symbolP4
Cell length a32.315(6)
Cell length b32.315(6)
Cell length c15.243(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0917
R Factor (All)0.1089
Weighted R Factor (Obs)0.2249
Weighted R Factor (All)0.2357

Citation: Dervisi, Athanasia and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1057/)
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