Sample Originator: Richard Brown.
Data Collection: Simon J. Colesa and Michael B. Hursthousea
Structure Determination: Simon J. Colesa.
University of Southamptona
C50H45Cl3N2PPd
InChI=1/C23H15N.C14H16N.2C6H6.CH2Cl2.ClH.H3P.Pd/c1-2-10-17-16(8-1)9-7-14-20(17)23-21-13-4-3-11-18(21)19-12-5-6-15-22(19)24-23;1-11(15(2)3)13-10-6-8-12-7-4-5-9-14(12)13;2*1-2-4-6-5-3-1;2-1-3;;;/h1-15H;4-9,11H,1-3H3;2*1-6H;1H2;1H;1H3;/q;;;;;;;+1/p-1/t;11-;;;;;;/m.1....../s1
| Identification Number: | 10.5258/ecrystals/1198 |
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| Controlled Keywords: | palladium compounds |
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| Date Created: | 01 August 1994 |
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| Deposited On: | 14 Aug 2013 22:51 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C50 H45 Cl3 N2 P Pd |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 10.227(3) |
| Cell length b | 18.698(3) |
| Cell length c | 11.133(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 93.41(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0414 |
| R Factor (All) | 0.0432 |
| Weighted R Factor (Obs) | 0.1077 |
| Weighted R Factor (All) | 0.1082 |
Citation: Brown, Richard and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1198)
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