Sample Originator: Ian R. Butlera.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Wales, Bangora
University of Southamptonb
C24H15ClFeO2
InChI=1/C19H10ClO2.C5H5.Fe/c20-13-6-8-15-17(10-13)19(22)14-7-5-12(9-16(14)18(15)21)11-3-1-2-4-11;1-2-4-5-3-1;/h1-10H;1-5H;
| Identification Number: | 10.5258/ecrystals/1207 |
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| Controlled Keywords: | iron compounds |
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| Date Created: | 09 October 1997 |
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| Deposited On: | 16 Feb 2010 13:05 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C24 H15 Cl Fe O2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 7.594(3) |
| Cell length b | 15.1770(12) |
| Cell length c | 31.134(16) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0375 |
| R Factor (All) | 0.3233 |
| Weighted R Factor (Obs) | 0.0572 |
| Weighted R Factor (All) | 0.1030 |
Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (1997) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1207)
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