Sample Originator: Ian A. Fallisa.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Cardiff Universitya
University of Southamptonb
C20H30Cl2FeN6O8
InChI=1/C10H17N3.ClHO.Fe.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
Date Created: | 02 November 2001 |
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Deposited On: | 23 Dec 2014 13:07 |
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Deposited By: | Mr Steve Lamond |
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Data collection parameters
Chemical formula | C20 H30 Cl2 Fe N6 O8 |
Crystal morphology | |
Crystal system | Monoclinic |
Space group symbol | C2/c |
Cell length a | 19.0961(8) |
Cell length b | 8.5356(5) |
Cell length c | 16.7145(7) |
Cell angle alpha | 90.00 |
Cell angle beta | 115.869(4) |
Cell angle gamma | 90.00 |
Data collection temperature | 120(2) |
Refinement results
Solution figure of merit | |
R Factor (Obs) | 0.0468 |
R Factor (All) | 0.0601 |
Weighted R Factor (Obs) | 0.1104 |
Weighted R Factor (All) | 0.1170 |
Citation: Fallis, Ian A. and Light, Mark E. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/726/)
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