Sample Originator: Craig J. Matthewsa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Nottingham Trent Universitya
University of Southamptonb
C30H54Co2F12N20O16S4
InChI=1/3C4H9N3.C2H7F5O5S2.CHF3O3S.CH4NO2.Co.FHO/c3*1-3(5)4(2)7-6;3-1-13(8,11-6)14(9,10,12-7)2(4)5;2-1(3,4)8(5,6)7;1-2(3)4;;1-2/h2*5H,6H2,1-2H3;4H,6H2,1-2H3;2,8-10,14H,1H2;(H,5,6,7);1H3,(H,3,4);;2H/q3*-2;;;;+6;/b2*4-3-;;;;;;
| Identification Number: | 10.5258/ecrystals/983 |
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| Controlled Keywords: | cobalt compounds, supramolecular assemblies |
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| Date Created: | 08 October 2003 |
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| Deposited On: | 08 Nov 2013 15:21 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C30 H54 Co2 F12 N20 O16 S4 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 18.8487(4) |
| Cell length b | 17.6656(4) |
| Cell length c | 17.0546(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.0540(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0974 |
| R Factor (Obs) | 0.0549 |
| R Factor (All) | 0.0822 |
| Weighted R Factor (Obs) | 0.1233 |
| Weighted R Factor (All) | 0.1389 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/983)
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