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
C24H28Cl3N12O16Zn2
InChI=1/C24H25N12.3ClHO.13H2O.2Zn/c25-21(17-7-1-3-13-29-17)33-35-23(27)19-11-5-9-15(31-19)16-10-6-12-20(32-16)24(28)36-34-22(26)18-8-2-4-14-30-18;3*1-2;;;;;;;;;;;;;;;/h1-14,21-24,34H,25,27-28H2;3*2H;13*1H2;;/q-3;;;;;;;;;;;;;;;;;+1;+2
| Identification Number: | 10.5258/ecrystals/1066 |
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| Controlled Keywords: | structures of transition-metal organic compounds |
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| Date Created: | 02 December 2004 |
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| Deposited On: | 28 Mar 2012 12:55 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C24 H28 Cl3 N12 O16 Zn2 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 20.502(4) |
| Cell length b | 11.575(2) |
| Cell length c | 15.431(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 107.67(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0633 |
| R Factor (Obs) | 0.0821 |
| R Factor (All) | 0.1130 |
| Weighted R Factor (Obs) | 0.1963 |
| Weighted R Factor (All) | 0.2127 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1066)
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