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
C68H52Cl6Cr2N24O30Zn2
InChI=1/C17H14N6O.C17H13N6O.C6H6N2.C6H7N.2C5H5N.C4H7NO.C4H9N.C3H5N.C3H6.C2H5N.C2H7N.C2H5N.C2H4O.CH2N.3CH4.6ClHO.2Cr.3N2.2H3N.22H2O.2Zn/c2*18-16(14-7-2-4-11-20-14)22-23-17(24)15-9-5-8-13(21-15)12-6-1-3-10-19-12;7-5-6-3-1-2-4-8-6;1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;5-3-1-2-4-6;1-2-3-4-5;1-2-3-4;2*1-3-2;3*1-2-3;1-2;;;;6*1-2;;;3*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-11,17,23H,(H-,18,22);1-11H,(H2-,18,19,20,21,22,23,24);1-5,7H;2-5H,1H3;2*1-5H;1-2,4H,3,5H2;2H,1,3-5H2;2-4H,1H2;3H,1H2,2H3;1H2,2H3;2-3H2,1H3;2-3H,1H3;2H,1H3;1H2;3*1H4;6*2H;;;;;;2*1H3;22*1H2;;/q-2;-1;;;;;;;;;;;;;-1;;;;;;;;;;+1;+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+3/p-2/b;;;;;;2-1+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
| Identification Number: | 10.5258/ecrystals/978 |
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| Controlled Keywords: | chromium compounds, zinc compounds, supramolecular assemblies |
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| Date Created: | 30 March 2004 |
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| Deposited On: | 28 Mar 2012 12:52 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C68 H52 Cl6 Cr2 N24 O30 Zn2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 14.146(5) |
| Cell length b | 15.602(5) |
| Cell length c | 20.484(5) |
| Cell angle alpha | 81.484(5) |
| Cell angle beta | 71.672(5) |
| Cell angle gamma | 71.901(5) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1425 |
| R Factor (All) | 0.1890 |
| Weighted R Factor (Obs) | 0.4083 |
| Weighted R Factor (All) | 0.4307 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/978)
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