Sample Originator: Abdurrahaman Sengulb, Safinaz Altinb and Ozgur Kurtb.
Data Collection: Simon J. Colesa and Michael B. Hursthousea
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Karaelmas Universityb
C20H20CuN4 . PF6
InChI=1/4C5H5N.Cu.F6P/c4*1-2-4-6-5-3-1;;1-7(2,3,4,5)6/h4*1-5H;;
| Identification Number: | 10.5258/ecrystals/385 |
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| Controlled Keywords: | Salt |
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| Date Created: | 31 March 2008 |
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| Deposited On: | 21 Apr 2008 15:55 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C20 H20 Cu F6 N4 P |
| Crystal morphology | Rod |
| Crystal system | Tetragonal |
| Space group symbol | I-4 |
| Cell length a | 12.50090(10) |
| Cell length b | 12.50090(10) |
| Cell length c | 6.91330(10) |
| 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 | 0.0292 |
| R Factor (Obs) | 0.0250 |
| R Factor (All) | 0.0263 |
| Weighted R Factor (Obs) | 0.0636 |
| Weighted R Factor (All) | 0.0643 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Sengul, Abdurrahaman and Altin, Safinaz and Kurt, Ozgur (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/385)
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