Sample Originator: Ian A. Fallisa.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Cardiff Universitya
University of Southamptonb
C20H30Cl2CoN6O8
InChI=1/C10H17N3.ClHO.Co.3H2O/c1-12-7-8-13(2)10-6-4-3-5-9(10)11;1-2;;;;/h3-6,12H,7-8,11H2,1-2H3;2H;;3*1H2
| Controlled Keywords: | surfactants |
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| Date Created: | 11 February 2002 |
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| Deposited On: | 17 Feb 2010 16:05 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were located from the difference map and fully refined.
Data collection parameters
| Chemical formula | C20 H30 Cl2 Co N6 O8 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 19.0985(6) |
| Cell length b | 8.5350(3) |
| Cell length c | 16.7990(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 115.6480(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0359 |
| R Factor (All) | 0.0508 |
| Weighted R Factor (Obs) | 0.0819 |
| Weighted R Factor (All) | 0.0885 |
Citation: Fallis, Ian A. and Light, Mark E. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1079/)
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