Sample Originator: Craig J. Matthewsa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Nottingham Trent Universitya
University of Southamptonb
C11H11FeN4O10
InChI=1/C11H8N2O2.Fe.H2NO3.HNO3.2H2O/c14-11(15)10-6-3-5-9(13-10)8-4-1-2-7-12-8;;2*2-1(3)4;;/h1-7H,(H,14,15);;(H2,2,3,4);2H;2*1H2/q;+3;;-2;;/p-1
| Identification Number: | 10.5258/ecrystals/988 |
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| Controlled Keywords: | iron, supramolecular assemblies |
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| Date Created: | 11 February 2004 |
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| Deposited On: | 08 Nov 2013 16:38 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C11 H11 Fe N4 O10 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 12.463(5) |
| Cell length b | 10.797(1) |
| Cell length c | 22.201(5) |
| Cell angle alpha | 90.000 |
| Cell angle beta | 91.765(2) |
| Cell angle gamma | 90.000 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0888 |
| R Factor (Obs) | 0.0516 |
| R Factor (All) | 0.0815 |
| Weighted R Factor (Obs) | 0.1240 |
| Weighted R Factor (All) | 0.1389 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/988)
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