Sample Originator: Michael A. Becketta and James Timmisa.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C36H30INP2
InChI=1/C36H33NP2.HI/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30,37-39H;1H
| Identification Number: | 10.5258/ecrystals/704 |
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| Controlled Keywords: | small organic salts |
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| Date Created: | 22 April 2009 |
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| Deposited On: | 26 Jan 2010 13:07 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
MAB/JT/22
Data collection parameters
| Chemical formula | C36 H30 I N P2 |
| Crystal morphology | Slab |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 29.6827(6) |
| Cell length b | 10.1604(2) |
| Cell length c | 20.2114(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.3370(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0483 |
| R Factor (All) | 0.0613 |
| Weighted R Factor (Obs) | 0.0966 |
| Weighted R Factor (All) | 0.1045 |
Citation: Beckett, Michael A. and Timmis, James and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/704)
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