Sample Originator: John N. Morrisa.
Data Collection: Mary Harmanb and Michael B. Hursthousec
Structure Determination: Mary Harmanb.
University of Strathclydea
University of Wales, Cardiffb
University of Southamptonc
C11H26NB11F
InChI=1/2C10H16N.2CH10B6.2B3H3.2B2H2.2BH3/c2*1-11(2,3)9-10-7-5-4-6-8-10;1-7(3)6-5-4-2;1-3-5-7-6-4-2;2*1-2-3-1;2*1-2;;/h2*4-8H,9H2,1-3H3;4-6H,2-3H2,1H3;3-7H,2H2,1H3;2*1-3H;2*1-2H;2*1H3
| Identification Number: | 10.5258/ecrystals/1028 |
|---|
| Controlled Keywords: | boron compounds, cage molecules |
|---|
| Date Created: | 21 January 1991 |
|---|
| Deposited On: | 10 Jun 2013 17:16 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C11 H30 B12 N |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 12.0310(10) |
| Cell length b | 12.110(2) |
| Cell length c | 13.980(3) |
| Cell angle alpha | 90.510(10) |
| Cell angle beta | 110.79(2) |
| Cell angle gamma | 91.040(10) |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1185 |
| R Factor (All) | 0.1475 |
| Weighted R Factor (Obs) | 0.3196 |
| Weighted R Factor (All) | 0.3484 |
Citation: Morris, John N. and Harman, Mary and Hursthouse, Michael B. (1991) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1028)
Export as: oreChem EndNote BibTeX ASCII Citation
