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
C24H24Cl2Cu2N10O12
InChI=1/C12H9N5.ClHO.Cu.5H2O/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;1-2;;;;;;/h1,3-8H,2H2;2H;;5*1H2/q-2;;+2;;;;;
| Identification Number: | 10.5258/ecrystals/986 |
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| Controlled Keywords: | supramolecular assemblies, copper compounds |
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| Date Created: | 17 October 2003 |
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| Deposited On: | 08 Nov 2013 16:34 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C24 H24 Cl2 Cu2 N10 O12 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.3024(5) |
| Cell length b | 9.7983(6) |
| Cell length c | 10.0972(6) |
| Cell angle alpha | 110.719(2) |
| Cell angle beta | 109.620(2) |
| Cell angle gamma | 102.964(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0933 |
| R Factor (Obs) | 0.0532 |
| R Factor (All) | 0.0841 |
| Weighted R Factor (Obs) | 0.1325 |
| Weighted R Factor (All) | 0.1470 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/986)
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