Sample Originator: Paul D. Smitha.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Manchester Metropolitan Universitya
University of Southamptonb
C24H28F6N5Ni2O3PS2
InChI=1/C21H26N4O2S2.C3H7NO.F5P.FH.2Ni/c1-14-6-16(20(28)18(8-14)12-24-26)10-22-4-3-5-23-11-17-7-15(2)9-19(13-25-27)21(17)29;1-4(2)3-5;1-6(2,3,4)5;;;/h6-9,26-27H,3-5,10-13H2,1-2H3;3H,1-2H3;;1H;;/q-4;;;;2*+2
| Identification Number: | 10.5258/ecrystals/904 |
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| Controlled Keywords: | nickel, chelates |
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| Date Created: | 26 November 2003 |
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| Deposited On: | 08 Nov 2013 16:35 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C24 H28 F6 N5 Ni2 O3 P S2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.2994(2) |
| Cell length b | 11.9644(3) |
| Cell length c | 15.7923(3) |
| Cell angle alpha | 103.6270(10) |
| Cell angle beta | 99.058(2) |
| Cell angle gamma | 105.0280(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0457 |
| R Factor (All) | 0.0606 |
| Weighted R Factor (Obs) | 0.1014 |
| Weighted R Factor (All) | 0.1073 |
Citation: Smith, Paul D. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/904)
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