Sample Originator: P. G. Taylora.
Data Collection: Richard Stephensonb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
Open Universitya
University of Southamptonb
C13H13Cl2N4O6Si
InChI=1/C13H15N4O6Si.2ClH/c1-24(8-14-6-10(16(18)19)2-4-12(14)22-24)9-15-7-11(17(20)21)3-5-13(15)23-24;;/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21);2*1H
| Identification Number: | 10.5258/ecrystals/660 |
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| Date Created: | 16 March 2009 |
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| Deposited On: | 09 Apr 2009 10:42 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C13 H13 Cl2 N4 O6 Si |
| Crystal morphology | Fragment |
| Crystal system | monoclinic |
| Space group symbol | P21/n |
| Cell length a | 10.2948(3) |
| Cell length b | 12.6066(4) |
| Cell length c | 14.3449(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 109.010(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0445 |
| R Factor (All) | 0.0622 |
| Weighted R Factor (Obs) | 0.0910 |
| Weighted R Factor (All) | 0.0987 |
Citation: Taylor, P. G. and Callear, Samantha K. and Stephenson, Richard and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/660)
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