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
C44H36Cl4Mn2N16O16
InChI=1/C11H11N4.C11H9N4.2ClHO.Mn.6H2O/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/991 |
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| Controlled Keywords: | manganese compounds, supramolecular compounds |
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| Date Created: | 09 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 Mn2 N16 O16 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbcn |
| Cell length a | 17.335(3) |
| Cell length b | 12.828(2) |
| Cell length c | 23.107(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 | 0.0788 |
| R Factor (Obs) | 0.0548 |
| R Factor (All) | 0.0745 |
| Weighted R Factor (Obs) | 0.1298 |
| Weighted R Factor (All) | 0.1422 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/991)
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