1,3-bis(3,5-dinitrophenyl)urea with tetramethylammonium chloride
Sample Originator: Isabelle Kirbya. Data Collection: Isabelle Kirbya Structure Determination: Isabelle Kirbya. University of Southamptona
C72 H86 Cl4 N30 O36 | Controlled Keywords: | anion binding, solvate |
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| Date Created: | June 2011 |
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| Deposited On: | 03 Sep 2015 13:22 |
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| Deposited By: | Dr Isabelle Kirby |
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Data collection parameters| Chemical formula | C72 H86 Cl4 N30 O36 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | C 2/m | | Cell length a | 26.6631(6) | | Cell length b | 24.0557(4) | | Cell length c | 17.3853(4) | | Cell angle alpha | 90.00 | | Cell angle beta | 120.9950(10) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0614 | | R Factor (All) | 0.0839 | | Weighted R Factor (Obs) | 0.1580 | | Weighted R Factor (All) | 0.1708 |
Citation: Kirby, Isabelle and Gale, Philip and Coles, Simon (2011) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1706/)
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