Sample Originator: Francesco Devillanovaa, Carla Aragonia and Massimiliano Arcaa.
Data Collection: Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Universita Degli Studi Di Cagliari, Italya
University of Southamptonb
C40H28I2N8Ni1
InChI=1/C20H14N4.HI.Ni/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17;;/h1-14H;1H;/q-2;;+3/p-1/b20-17-;;
| Identification Number: | 10.5258/ecrystals/242 |
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| Date Created: | 14 December 2006 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C40 H28 I2 N8 Ni |
| Crystal morphology | Lath |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 25.0178(10) |
| Cell length b | 8.8338(2) |
| Cell length c | 16.5583(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.264(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0416 |
| R Factor (All) | 0.0508 |
| Weighted R Factor (Obs) | 0.1040 |
| Weighted R Factor (All) | 0.1101 |
Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Hursthouse, Michael B. and Huth, Susanne L. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/242)
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