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
C36H36Cu4N12O20
InChI=1/C18H15N4O2.2Cu.H2NO3.HNO3.2H2O/c23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;;;2*2-1(3)4;;/h1-11,18,23H,12H2;;;(H2,2,3,4);(H-,2,3,4);2*1H2/q-3;+2;+4;;-1;;/p-2
| Identification Number: | 10.5258/ecrystals/976 |
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| Controlled Keywords: | copper compounds, supramolecular assemblies |
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| Date Created: | 07 May 2003 |
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| Deposited On: | 14 Aug 2013 23:12 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C36 H36 Cu4 N12 O20 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 6.9577(3) |
| Cell length b | 17.1010(7) |
| Cell length c | 17.8604(8) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.345(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0661 |
| R Factor (Obs) | 0.0631 |
| R Factor (All) | 0.1022 |
| Weighted R Factor (Obs) | 0.1260 |
| Weighted R Factor (All) | 0.1412 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/976)
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