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
C7H26B11N
InChI=1/C6H16B2N.C6H17BN.CH3B.CH4.B6H8.2B4H6.B3H3.BH3/c1-5(2)9(8-7)6(3)4;1-5(2)8(7)6(3)4;1-2;;1-3-5-6-4-2;2*1-3-4-2;1-2-3-1;/h5-7,9H,1-4H3;5-6,8H,7H2,1-4H3;2H,1H2;1H4;3-6H,1-2H2;2*3-4H,1-2H2;1-3H;1H3
| Controlled Keywords: | boron compounds |
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| Date Created: | 09 June 1991 |
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| Deposited On: | 16 Feb 2010 11:53 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
Recovered from floppy disk so no metadata available. Poor data quality. (wR2=25%)
Data collection parameters
| Chemical formula | C7 H26 B11 N |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pca21 |
| Cell length a | 17.519(6) |
| Cell length b | 12.865(6) |
| Cell length c | 13.780(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0873 |
| R Factor (All) | 0.1132 |
| Weighted R Factor (Obs) | 0.2235 |
| Weighted R Factor (All) | 0.2428 |
Citation: Morris, John N. and Harman, Mary and Hursthouse, Michael B. (1991) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1030/)
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