Sample Originator: Ian A. Fallisa.
Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb
Structure Determination: Thomas Gelbrichb.
Cardiff Universitya
University of Southamptonb
C34H71CuN7O10
InChI=1/C32H68N4O4.C2H3N.Cu.2H2NO3/c1-29(2,3)25(37)21-33-13-15-34(22-26(38)30(4,5)6)17-19-36(24-28(40)32(10,11)12)20-18-35(16-14-33)23-27(39)31(7,8)9;1-2-3;;2*2-1(3)4/h25-28,37-40H,13-24H2,1-12H3;1H3;;2*(H2,2,3,4)/t25-,26-,27+,28+;;;;
| Date Created: | 17 October 2001 |
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| Deposited On: | 23 Dec 2014 12:47 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C34 H71 Cu N7 O10 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 12.7896(2) |
| Cell length b | 16.8418(3) |
| Cell length c | 19.3694(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.5530(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0576 |
| R Factor (All) | 0.0967 |
| Weighted R Factor (Obs) | 0.1093 |
| Weighted R Factor (All) | 0.1183 |
Citation: Fallis, Ian A. and Gelbrich, Thomas and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/840/)
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