2008src0817 (MAB/JT/11)
Sample Originator: Michael A. Becketta. Data Collection: Peter N. Hortonb Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb. University of Wales, Bangora
University of Southamptonb
(C4H12N2)2+ . 2(H4B3O7)- InChI=1/C4H12N2.2B3H4O7/c1-2-6-4-3-5-1;2*4-1-8-2(5)10-3(6,7)9-1/h1-6H2;2*4-7H | Identification Number: | 10.5258/ecrystals/590 |
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| Controlled Keywords: | boron compounds, small organic salts |
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| Date Created: | 08 July 2008 |
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| Deposited On: | 14 Aug 2008 18:00 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters| Chemical formula | C4 H20 B6 N2 O14 | | Crystal morphology | Cut Block | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 5.7619(2) | | Cell length b | 6.3796(2) | | Cell length c | 11.6206(5) | | Cell angle alpha | 92.684(2) | | Cell angle beta | 98.060(2) | | Cell angle gamma | 114.750(2) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.0329 | | R Factor (Obs) | 0.0416 | | R Factor (All) | 0.0525 | | Weighted R Factor (Obs) | 0.0870 | | Weighted R Factor (All) | 0.0941 |
Citation: Beckett, Michael A. and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/590)
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