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C~58~H~48~P~2~PdS~2~

Sample Originator: Athanasia (Nancy) Dervisia.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

Cardiff Universitya
University of Southamptonb

C58H48P2PdS2

InChI=1/C29H25PS.Pd/c31-29(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;/h1-18,27-28,31H,19-20H2;/t27-,28+,29-;/m1./s1

Controlled Keywords:chiral compounds
Date Created:22 September 2003
Deposited On:18 Feb 2010 11:07
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed.

Data collection parameters

Chemical formulaC58 H48 P2 Pd S2
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a14.174(2)
Cell length b14.715(2)
Cell length c11.8000(13)
Cell angle alpha90.00
Cell angle beta102.312(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1011
R Factor (All)0.1683
Weighted R Factor (Obs)0.1598
Weighted R Factor (All)0.1844

Citation: Dervisi, Athanasia (Nancy) and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1061/)
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Available Files

Final Result

03src0539.cif17k
03src0539.fcf231k
s93.cml8k

Validation

03src0539_checkcif.htm10k

Refinement

s93.res8k

Solution

s92.prp5k

Processing

03src0539.htm6k
s93.hkl647k

Other Files

03src0539.ins7k
03src0539_ellipsoid.gif32k
03src0539p.doc232k
0kl.jpg46k
h0l.jpg121k
hk0.jpg51k
s93.inchi2k
s93.mol4k

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