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
C44H36Cl4N16O16Zn2
InChI=1/C11H11N4.C11H9N4.2ClHO.6H2O.Zn/c2*12-11(13)10-6-3-5-9(15-10)8-4-1-2-7-14-8;2*1-2;;;;;;;/h1-7,11-12H,13H2;1-7H,(H2-,12,13);2*2H;6*1H2;/q2*-1;;;;;;;;;+2
| Identification Number: | 10.5258/ecrystals/990 |
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| Controlled Keywords: | zinc compounds, supramolecular assemblies |
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| Date Created: | 08 March 2004 |
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| Deposited On: | 08 Nov 2013 16:38 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C44 H36 Cl4 N16 O16 Zn2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbcn |
| Cell length a | 17.648(3) |
| Cell length b | 12.6089(18) |
| Cell length c | 22.985(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1472 |
| R Factor (Obs) | 0.0418 |
| R Factor (All) | 0.0552 |
| Weighted R Factor (Obs) | 0.0950 |
| Weighted R Factor (All) | 0.1018 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/990)
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