Sample Originator: Arthur Connella and Peter J. Hollimana.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C17H20ClFeNO3
InChI=1/C12H16ClNO3.C5H5.Fe/c1-7(2)10(6-13)14-11(15)8-4-3-5-9(8)12(16)17;1-2-4-5-3-1;/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17);1-5H;/b11-8-;;/t10-;;/m1../s1
| Identification Number: | 10.5258/ecrystals/340 |
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| Date Created: | 11 July 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C17 H20 Cl Fe N O3 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P 2(1)/n |
| Cell length a | 7.8204(2) |
| Cell length b | 19.1689(6) |
| Cell length c | 11.3839(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 100.727(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0437 |
| R Factor (All) | 0.0630 |
| Weighted R Factor (Obs) | 0.1034 |
| Weighted R Factor (All) | 0.1133 |
Citation: Connell, Arthur and Holliman, Peter J. and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/340)
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