Sample Originator: Michael B. Hursthouse, Mark E. Light, D. J. Willock, A. A. Dickinson, R. J. Calder, A. Al-Fawaz and Simon Aldridge.
C19H5B1F10Fe1O2
InChI=1/2C12BF10.2C5H5.4CO.2Fe/c2*14-3-1(4(15)8(19)11(22)7(3)18)13-2-5(16)9(20)12(23)10(21)6(2)17;2*1-2-4-5-3-1;4*1-2;;/h;;2*1-5H;;;;;;
| Identification Number: | 10.5258/ecrystals/66 |
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| Date Created: | 19 July 2001 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
http://www.rsc.org/delivery/_ArticleLinking/ArticleLinking.cfm?JournalCode=CC&Year=2001&ManuscriptID=b106881b&Iss=18
Data collection parameters
| Chemical formula | C19 H5 B F10 Fe O2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.6895(2) |
| Cell length b | 13.4060(2) |
| Cell length c | 13.6885(2) |
| Cell angle alpha | 93.628(3) |
| Cell angle beta | 93.588(3) |
| Cell angle gamma | 113.060(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0431 |
| R Factor (All) | 0.0829 |
| Weighted R Factor (Obs) | 0.0741 |
| Weighted R Factor (All) | 0.0858 |
Citation: Hursthouse, Michael B. and Light, Mark E. and Willock, D. J. and Dickinson, A. A. and Calder, R. J. and Al-Fawaz, A. and Aldridge, Simon (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/66)
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