Sample Originator: Jon R. Dilwortha.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Oxforda
University of Southamptonb
C48H51CoN3P3S3
InChI=1/C16H19NPS.2C16H18NPS.Co/c3*1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16,19H,2,13H2,1H3;2*3-12H,2,13H2,1H3,(H,17,19);/q-1;;;+2/p-1
| Identification Number: | 10.5258/ecrystals/1204 |
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| Controlled Keywords: | cobalt compounds |
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| Date Created: | 07 October 1996 |
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| Deposited On: | 16 Feb 2010 13:11 |
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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 | C48 H51 Co N3 P3 S3 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 16.858(17) |
| Cell length b | 15.233(4) |
| Cell length c | 17.784(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.60(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0512 |
| R Factor (All) | 0.2091 |
| Weighted R Factor (Obs) | 0.0835 |
| Weighted R Factor (All) | 0.1101 |
Citation: Dilworth, Jon R. and Coles, Simon J. and Hursthouse, Michael B. (1996) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1204)
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