Sample Originator: Simon J. Lancastera.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of East Angliaa
University of Southamptonb
C44H18B2F30LiO4P
InChI=1/2C18BF15.C8H16O4.Li.H3P.H/c2*20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25;1-2-10-5-6-12-8-7-11-4-3-9-1;;;/h;;1-8H2;;1H3;
| Controlled Keywords: | borophosphates |
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| Date Created: | 15 June 2005 |
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| Deposited On: | 17 Feb 2010 13:37 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C44 H18 B2 F30 Li O4 P |
| Crystal morphology | Cut Blade |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 12.465(13) |
| Cell length b | 14.37(3) |
| Cell length c | 14.461(14) |
| Cell angle alpha | 62.10(13) |
| Cell angle beta | 84.68(10) |
| Cell angle gamma | 89.27(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0643 |
| R Factor (Obs) | 0.0920 |
| R Factor (All) | 0.1822 |
| Weighted R Factor (Obs) | 0.1375 |
| Weighted R Factor (All) | 0.1623 |
Citation: Lancaster, Simon J. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1142/)
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