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
C78H72Cl4Mn4N16O28
InChI=1/C18H17N4O2.C18H15N4O2.C3H8O.2ClHO.2Mn.7H2O/c2*23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;1-2-3-4;2*1-2;;;;;;;;;/h1-11,18,20,22-23H,12H2;1-11H,12H2,(H2-,19,22,23,24);4H,2-3H2,1H3;2*2H;;;7*1H2/q-1;-3;;;;+2;+3;;;;;;;/p-1
| Identification Number: | 10.5258/ecrystals/982 |
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| Controlled Keywords: | manganese compounds, supramolecular assemblies |
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| Date Created: | 15 August 2003 |
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| Deposited On: | 08 Nov 2013 15:18 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C78 H72 Cl4 Mn4 N16 O28 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 28.9660(4) |
| Cell length b | 11.0725(2) |
| Cell length c | 26.3419(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 103.6330(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1018 |
| R Factor (Obs) | 0.0577 |
| R Factor (All) | 0.0985 |
| Weighted R Factor (Obs) | 0.1210 |
| Weighted R Factor (All) | 0.1382 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/982)
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