Sample Originator: Michael A. Becketta and James Timmisa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Wales, Bangora
University of Southamptonb
C5H16B5NO10
InChI=1/C5H12N.B5H4O10/c6-5-3-1-2-4-5;6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5/h5H,1-4H2,6H3;6-9H
| Identification Number: | 10.5258/ecrystals/1259 |
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| Controlled Keywords: | boron compounds |
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| Date Created: | 08 March 2010 |
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| Deposited On: | 08 Mar 2010 12:23 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User refcode: MAB/JT/32
The cyclopentylammonium cation was disordered over 2 sites
Data collection parameters
| Chemical formula | C5 H16 B5 N O10 |
| Crystal morphology | Cut Block |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 9.4446(4) |
| Cell length b | 13.9129(7) |
| Cell length c | 10.3330(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 92.517(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0431 |
| R Factor (Obs) | 0.0447 |
| R Factor (All) | 0.0665 |
| Weighted R Factor (Obs) | 0.1078 |
| Weighted R Factor (All) | 0.1204 |
Citation: Beckett, Michael A. and Timmis, James and Horton, Peter N. and Hursthouse, Michael B. (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1259)
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