Sample Originator: Mark S. Bairda.
Data Collection: K.M. Abdul Malikb, Michael B. Hursthousec and Dai E. Hibbsd
Structure Determination: K.M. Abdul Malikb and Steven J. Lamondc.
University of Wales, Bangora
University of Cardiffb
University of Southamptonc
University of Sydneyd
C6H7NOBr2
InChI=1/C6H7Br2NO/c1-5(4(10)2-9)3-6(5,7)8/h4,10H,3H2,1H3/t4-,5-/m0/s1
| Identification Number: | 10.5258/ecrystals/1036 |
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| Controlled Keywords: | cyanides |
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| Date Created: | 24 August 1994 |
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| Deposited On: | 14 Aug 2013 23:31 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C6 H7 Br2 N O |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 14.447(3) |
| Cell length b | 6.624(4) |
| Cell length c | 9.490(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 108.59(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0391 |
| R Factor (All) | 0.0532 |
| Weighted R Factor (Obs) | 0.0931 |
| Weighted R Factor (All) | 0.1006 |
Citation: Baird, Mark S. and Malik, K.M. Abdul and Hursthouse, Michael B. and Hibbs, Dai E. and Lamond, Steven J. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1036)
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