Sample Originator: Simon Aldridgea.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Cardiffa
University of Southamptonb
C36H40B4Fe2O8
InChI=1/2C18H20B2O4.2Fe/c2*1-2-6-13(5-1)19-21-15-9-11-17-18(12-10-16(15)22-19)24-20(23-17)14-7-3-4-8-14;;/h2*1-8,15-18H,9-12H2;;/t2*15-,16+,17+,18-;;
| Identification Number: | 10.5258/ecrystals/329 |
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| Date Created: | 13 December 2006 |
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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 | C36 H40 B4 Fe2 O8 |
| Crystal morphology | Plate |
| Crystal system | Orthorhombic |
| Space group symbol | P bcn |
| Cell length a | 19.6222(11) |
| Cell length b | 7.8609(3) |
| Cell length c | 21.3982(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1528 |
| R Factor (Obs) | 0.0905 |
| R Factor (All) | 0.1451 |
| Weighted R Factor (Obs) | 0.1459 |
| Weighted R Factor (All) | 0.1676 |
Citation: Aldridge, Simon and Male, Louise and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/329)
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