Sample Originator: Dave G. Kellya.
Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb
Structure Determination: Thomas Gelbrichb.
Manchester Metropolitan Universitya
University of Southamptonb
InChI=1/C6H15NO2.ClH.Co/c1-3-8-6(5-7)9-4-2;;/h6H,3-5,7H2,1-2H3;1H;/q;;+1/p-1
| Identification Number: | 10.5258/ecrystals/808 |
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| Date Created: | 28 June 1999 |
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| Deposited On: | 16 Feb 2010 11:47 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
Higher symmetry suggested but is likely to be pseudo symmetry.
Data collection parameters
| Chemical formula | C12 H28 Cl2 Co N2 O4 |
| Crystal morphology | |
| Crystal system | tetragonal |
| Space group symbol | P-42(1)c |
| Cell length a | 14.0554(4) |
| Cell length b | 14.0554(4) |
| Cell length c | 9.59290(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0239 |
| R Factor (All) | 0.0352 |
| Weighted R Factor (Obs) | 0.0577 |
| Weighted R Factor (All) | 0.0610 |
Citation: Kelly, Dave G. and Gelbrich, Thomas and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/808)
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