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
C77H58Cl2Mn4N18O17
InChI=1/2C18H16N4O2.2C18H15N4O2.2C2H3N.CH4O.ClHO2.ClHO.ClH.4Mn.H2O3.6H2O/c4*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;2*1-2-3;1-2;1-3-2;1-2;;;;;;1-3-2;;;;;;/h2*1-11,18,22-23H,12H2;2*1-11H,12H2,(H2-,19,20,21,22,23,24);2*1H3;2H,1H3;2H;2H;1H;;;;;1-2H;6*1H2/q2*-2;2*-1;;;;;;;2*+1;2*+5;;;;;;;/p-6
| Identification Number: | 10.5258/ecrystals/975 |
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| Controlled Keywords: | manganese compounds, supramolecular assemblies |
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| Date Created: | 06 May 2003 |
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| Deposited On: | 08 Nov 2013 16:29 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C77 H58 Cl2 Mn4 N18 O17 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 26.5518(7) |
| Cell length b | 20.3208(3) |
| Cell length c | 14.0403(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 101.0100(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1004 |
| R Factor (Obs) | 0.0605 |
| R Factor (All) | 0.1484 |
| Weighted R Factor (Obs) | 0.1239 |
| Weighted R Factor (All) | 0.1566 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/975)
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