Sample Originator: David B. Daviesa, S Beslib and A. Kilicb.
Data Collection: Simon J. Colesc
Structure Determination: Simon J. Colesc and Michael B. Hursthousec.
Birkbeck College, University of Londona
Gebze Institute of Technologyb
University of Southamptonc
C24H16Cl16F32N12O8P12
InChI=1/C12H20Cl8F16N6O4P6/c13-47(14)37-49(17)41-50(18,38-47)44-3-7(25,26)11(33,34)12(35,36)8(27,28)4-46-52(20)40-48(15,16)39-51(19,42-52)45-2-6(23,24)10(31,32)9(29,30)5(21,22)1-43-49/h37-42,47-52H,1-4H2
| Identification Number: | 10.5258/ecrystals/266 |
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| Date Created: | 20 February 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C24 H16 Cl16 F32 N12 O8 P12 |
| Crystal morphology | Rod |
| Crystal system | Monoclinic |
| Space group symbol | C2/m |
| Cell length a | 20.9041(7) |
| Cell length b | 14.5008(5) |
| Cell length c | 5.9078(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 102.021(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0472 |
| R Factor (Obs) | 0.0840 |
| R Factor (All) | 0.0870 |
| Weighted R Factor (Obs) | 0.2468 |
| Weighted R Factor (All) | 0.2484 |
Citation: Davies, David B. and Besli, S and Kilic, A. and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/266)
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