Sample Originator: Annabelle Hodsona.
Data Collection: Richard A. Stephensonb
Structure Determination: Richard A. Stephensonb.
University of the West of Englanda
University of Southamptonb
C23H18Cl1Mo1N3O3
InChI=1/C12H8N2.C9H13NO.2CH3O.ClH.Mo/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4-7-8(5-2)9(11)10-6-3;2*1-2;;/h1-8H;5,8H,1,6H2,2-3H3,(H,10,11);2*2H,1H2;1H;
| Identification Number: | 10.5258/ecrystals/381 |
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| Date Created: | 02 August 2007 |
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| Deposited On: | 19 Feb 2008 14:09 |
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| Deposited By: | Dr Richard A Stephenson |
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Data collection parameters
| Chemical formula | C23 H18 Cl Mo N3 O3 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 9.2976(2) |
| Cell length b | 27.3184(5) |
| Cell length c | 8.7746(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 107.8340(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0461 |
| R Factor (All) | 0.0520 |
| Weighted R Factor (Obs) | 0.0953 |
| Weighted R Factor (All) | 0.0982 |
Citation: Hodson, Annabelle and Stephenson, Richard A. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/381)
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