Sample Originator: Andrew Fogga.
Data Collection: Samantha K. Callearb
Structure Determination: Samantha K. Callearb.
Liverpool Universitya
University of Southamptonb
C5H3MoNdO8S
InChI=1/C5H10O3S.C5H8O2S.2Mo.2Nd.9H2O.2O/c1-3-4-5(2)9(6,7)8;1-3-4-5(2)8(6)7;;;;;;;;;;;;;;;/h3-4,6-8H,2H2,1H3;3-4,6H,2H2,1H3;;;;;9*1H2;;/q;-1;;+1;2*+5;;;;;;;;;;;/p-10/b4-3+;4-3-;;;;;;;;;;;;;;;
| Identification Number: | 10.5258/ecrystals/609 |
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| Date Created: | 09 October 2008 |
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| Deposited On: | 09 Dec 2008 17:47 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C5 H3 Mo Nd O8 S |
| Crystal morphology | Needle |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.2720(15) |
| Cell length b | 7.4040(15) |
| Cell length c | 18.131(4) |
| Cell angle alpha | 86.13(3) |
| Cell angle beta | 78.47(3) |
| Cell angle gamma | 89.29(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0728 |
| R Factor (All) | 0.1004 |
| Weighted R Factor (Obs) | 0.1524 |
| Weighted R Factor (All) | 0.1690 |
Citation: Fogg, Andrew and Callear, Samantha K. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/609)
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