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
C31H57F12N21O18S4Zn2
InChI=1/C8H18N6.2C8H16N6.4CHF3O3S.3CH4NO2.2Zn/c3*1-5(11-9)7(3)13-14-8(4)6(2)12-10;4*2-1(3,4)8(5,6)7;3*1-2(3)4;;/h5,7H,9-10H2,1-4H3;2*9-10H2,1-4H3;4*(H,5,6,7);3*1H3,(H,3,4);;/q3*-4;;;;;;;;2*+6/b8-6-;2*7-5-,8-6-;;;;;;;;;
| Identification Number: | 10.5258/ecrystals/984 |
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| Controlled Keywords: | zinc compounds, supramolecular assemblies |
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| Date Created: | 18 September 2003 |
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| Deposited On: | 23 Dec 2014 09:41 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C31 H57 F12 N21 O18 S4 Zn2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 12.0821(4) |
| Cell length b | 12.9560(4) |
| Cell length c | 19.5478(8) |
| Cell angle alpha | 94.144(2) |
| Cell angle beta | 97.469(2) |
| Cell angle gamma | 107.855(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0785 |
| R Factor (Obs) | 0.1287 |
| R Factor (All) | 0.1795 |
| Weighted R Factor (Obs) | 0.3726 |
| Weighted R Factor (All) | 0.4077 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/984)
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