Sample Originator: Andrew Platta.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
Staffordshire Universitya
University of Southamptonb
C36H81CeN3O12P3
InChI=1/3C12H28OP.Ce.H2NO3.2HNO3/c3*1-10(2)7-14(13,8-11(3)4)9-12(5)6;;3*2-1(3)4/h3*10-12,14H,7-9H2,1-6H3;;(H2,2,3,4);(H-,2,3,4);2H/q3*-1;+6;;-1;-2
| Identification Number: | 10.5258/ecrystals/1241 |
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| Controlled Keywords: | lanthanide coordination, organophosphorus compounds |
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| Date Created: | 08 October 2009 |
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| Deposited On: | 25 Jan 2010 10:38 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User Refcode:- Ce iBu
Data collection parameters
| Chemical formula | C36 H81 Ce N3 O12 P3 |
| Crystal morphology | Cut Block |
| Crystal system | orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 14.3658(7) |
| Cell length b | 14.5103(7) |
| Cell length c | 23.9483(8) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 62.85 |
| R Factor (Obs) | 0.0830 |
| R Factor (All) | 0.1026 |
| Weighted R Factor (Obs) | 0.1465 |
| Weighted R Factor (All) | 0.1528 |
Citation: Platt, Andrew and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1241)
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