Sample Originator: David B. Daviesb and Adem Kilicc.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Birkbeck College, University of Londonb
Gebze Institute of Technologyc
InChI=1/C17H48N10O8P6.CH2Cl2/c1-5-18-36(28-9-1)22-37(19-6-2-10-29-37)25-40(24-36)32-13-17(14-33-40)15-34-41(35-16-17)26-38(20-7-3-11-30-38)23-39(27-41)21-8-4-12-31-39;2-1-3/h18-27,36-41H,1-16H2;1H2
| Identification Number: | 10.5258/ecrystals/417 |
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| Date Created: | 09 May 2008 |
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| Deposited On: | 09 May 2008 08:44 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C17.50 H36.50 Cl0.50 N10 O8 P6 |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.6107(3) |
| Cell length b | 13.1064(3) |
| Cell length c | 13.7556(4) |
| Cell angle alpha | 95.945(2) |
| Cell angle beta | 108.6670(10) |
| Cell angle gamma | 103.670(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0677 |
| R Factor (Obs) | 0.1088 |
| R Factor (All) | 0.1308 |
| Weighted R Factor (Obs) | 0.2639 |
| Weighted R Factor (All) | 0.2806 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Davies, David B. and Kilic, Adem (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/417)
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