Sample Originator: Ian R. Butlera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University College of North Walesa
University of Southamptonb
C35H27Br2Cl5FeP2Pd
InChI=1/2C17H13BrP.2CH4.2Cl2.4ClH.Fe.Pd.H2/c2*18-16-12-7-13-17(16)19(14-8-3-1-4-9-14)15-10-5-2-6-11-15;;;2*1-2;;;;;;;/h2*1-13H;2*1H4;;;4*1H;;;1H
| Controlled Keywords: | ferrocene compounds |
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| Date Created: | 09 November 2005 |
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| Deposited On: | 08 Nov 2013 16:10 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C35 H27 Br2 Cl5 Fe P2 Pd |
| Crystal morphology | Cut Slab |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.6212(3) |
| Cell length b | 11.6023(3) |
| Cell length c | 16.3071(4) |
| Cell angle alpha | 69.7780(10) |
| Cell angle beta | 81.3780(10) |
| Cell angle gamma | 73.0820(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0646 |
| R Factor (Obs) | 0.0398 |
| R Factor (All) | 0.0609 |
| Weighted R Factor (Obs) | 0.0882 |
| Weighted R Factor (All) | 0.0972 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1109/)
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