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
C38H45B2F15LiO8P
InChI=1/C18BF15.2C8H16O4.C4H11P.BH3.Li.H/c20-4-1(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;2*1-2-10-5-6-12-8-7-11-4-3-9-1;1-4(2,3)5;;;/h;2*1-8H2;5H2,1-3H3;1H3;;
| Controlled Keywords: | borophosphates |
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| Date Created: | 13 May 2005 |
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| Deposited On: | 17 Feb 2010 13:34 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C38 H45 B2 F15 Li O8 P |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.545(2) |
| Cell length b | 15.851(5) |
| Cell length c | 16.004(3) |
| Cell angle alpha | 99.750(17) |
| Cell angle beta | 96.41(2) |
| Cell angle gamma | 91.167(17) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0539 |
| R Factor (Obs) | 0.0577 |
| R Factor (All) | 0.1019 |
| Weighted R Factor (Obs) | 0.1117 |
| Weighted R Factor (All) | 0.1270 |
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/1141/)
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