Sample Originator: Annabelle Hodsona.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of the West of Englanda
University of Southamptonb
C28H28Cl2Mo2N4O6S2
InChI=1/C12H8N2.C2H7OS.ClH.Mo.2H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;/h1-8H;3H,1-2H3;1H;;2*1H2/q;;;+3;;/p-3
| Controlled Keywords: | molybdenum |
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| Date Created: | 29 June 2005 |
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| Deposited On: | 24 Feb 2010 12:07 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C28 H28 Cl2 Mo2 N4 O6 S2 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 22.361(5) |
| Cell length b | 11.409(2) |
| Cell length c | 15.609(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 128.22(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0365 |
| R Factor (All) | 0.0469 |
| Weighted R Factor (Obs) | 0.0875 |
| Weighted R Factor (All) | 0.0929 |
Citation: Hodson, Annabelle and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1055/)
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