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
C6H15B5N2O10
InChI=1/C6H11N2.B5H4O10/c1-5(2)6-7-3-4-8-6;6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5/h3-5,7-8H,1-2H3;6-9H
| Identification Number: | 10.5258/ecrystals/1246 |
|---|
| Controlled Keywords: | boron compounds, hydrogen bonding |
|---|
| Date Created: | 10 August 2009 |
|---|
| Deposited On: | 26 Jan 2010 09:53 |
|---|
| Deposited By: | Dr Peter N Horton |
|---|
Depositor Comments
User Refcode:- MAB/JT/29
Data collection parameters
| Chemical formula | C6 H15 B5 N2 O10 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.1239(5) |
| Cell length b | 9.4947(5) |
| Cell length c | 9.9342(4) |
| Cell angle alpha | 106.587(3) |
| Cell angle beta | 91.279(3) |
| Cell angle gamma | 96.031(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0394 |
| R Factor (Obs) | 0.0549 |
| R Factor (All) | 0.0720 |
| Weighted R Factor (Obs) | 0.1452 |
| Weighted R Factor (All) | 0.1578 |
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/1246)
Export as: oreChem EndNote BibTeX ASCII Citation
