Sample Originator: Duncan W. Brucea.
Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb
Structure Determination: Thomas Gelbrichb.
University of Exetera
University of Southamptonb
C60H69LaN6O24
InChI=1/3C20H24NO5.La.3HNO3/c3*1-4-5-10-21-13-15-6-8-16(12-17(15)22)26-20(23)14-7-9-18(24-2)19(11-14)25-3;;3*2-1(3)4/h3*6-9,11-13,21-22H,4-5,10H2,1-3H3;;3*2H/q;;;+9;3*-2/p-3/b3*21-13+;;;;
| Identification Number: | 10.5258/ecrystals/810 |
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| Date Created: | 01 December 1999 |
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| Deposited On: | 14 Aug 2013 23:53 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C60 H69 La N6 O24 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 11.5712(2) |
| Cell length b | 17.2776(4) |
| Cell length c | 17.8033(3) |
| Cell angle alpha | 68.4390(10) |
| Cell angle beta | 84.5880(10) |
| Cell angle gamma | 76.9660(10) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0588 |
| R Factor (All) | 0.0928 |
| Weighted R Factor (Obs) | 0.1347 |
| Weighted R Factor (All) | 0.1471 |
Citation: Bruce, Duncan W. and Gelbrich, Thomas and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/810)
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