00src400 (535) - C26H17BrFe
Sample Originator: Ian. R. Butlera. Data Collection: Mark E. Lightb and Michael B. Hursthouseb Structure Determination: Mark E. Lightb. University of Wales, Bangora
University of Southamptonb
C26H17BrFe InChI=1/C21H15Br.C5H5.Fe/c22-21-19-11-5-3-9-16(19)18(14-13-15-7-1-2-8-15)17-10-4-6-12-20(17)21;1-2-4-5-3-1;/h1-7,9-12,16,20H,8H2;1-5H; | Identification Number: | 10.5258/ecrystals/720 |
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| Date Created: | 20 September 2000 |
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| Deposited On: | 12 Jun 2014 14:16 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C26 H17 Br Fe | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 10.2730(3) | | Cell length b | 16.4508(5) | | Cell length c | 11.1879(4) | | Cell angle alpha | 90.00 | | Cell angle beta | 96.538(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0524 | | R Factor (All) | 0.0690 | | Weighted R Factor (Obs) | 0.1405 | | Weighted R Factor (All) | 0.1499 |
Citation: Butler, Ian. R. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/720)
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