Sample Originator: Simon Aldridgea.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Oxforda
University of Southamptonb
(C29H31BFeN) . (C16H36N) . (CDCl3)
InChI=1/C24H26BN.C16H36N.C5H5.CHCl3.Fe/c1-16-11-18(3)23(19(4)12-16)25(15-26,22-9-7-8-10-22)24-20(5)13-17(2)14-21(24)6;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-5-3-1;2-1(3)4;/h7-14H,1-6H3;5-16H2,1-4H3;1-5H;1H;/i;;;1D;
| Identification Number: | 10.5258/ecrystals/338 |
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| Date Created: | 09 July 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C46 H67 B Cl3 D Fe N2 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P 2(1)/c |
| Cell length a | 11.9359(3) |
| Cell length b | 17.2845(5) |
| Cell length c | 21.4406(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 92.581(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0815 |
| R Factor (All) | 0.1440 |
| Weighted R Factor (Obs) | 0.1343 |
| Weighted R Factor (All) | 0.1617 |
Citation: Aldridge, Simon and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/338)
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