Sample Originator: Ian R. Butlera.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University College of North Walesa
University of Southamptonb
C44H36Br4Fe2NiP2
InChI=1/C17H15P.C17H14P.2C5H4Br.2BrH.2Fe.Ni/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*6-5-3-1-2-4-5;;;;;/h1-13H,14H2;1-14H;2*1-4H;2*1H;;;
| Controlled Keywords: | ferrocene compounds |
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| Date Created: | 08 November 2005 |
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| Deposited On: | 14 Aug 2013 23:03 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C44 H36 Br4 Fe2 Ni P2 |
| Crystal morphology | Blade |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 12.3194(4) |
| Cell length b | 10.9269(3) |
| Cell length c | 15.3899(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.958(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0347 |
| R Factor (Obs) | 0.0573 |
| R Factor (All) | 0.0767 |
| Weighted R Factor (Obs) | 0.1323 |
| Weighted R Factor (All) | 0.1436 |
Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1108/)
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