Sample Originator: Ian R. Butlera.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of Wales, Bangora
University of Southamptonb
C50H72Br2Fe2Mn2O6P4
InChI=1/2C11H18P.3CH3O.BrH.Fe.Mn/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;3*1-2;;;/h2*5-10H,1-4H3;3*2H,1H2;1H;;/q;;;;;;;-1/p+1
| Identification Number: | 10.5258/ecrystals/748 |
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| Date Created: | 08 May 1998 |
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| Deposited On: | 14 Aug 2013 23:45 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C50 H72 Br2 Fe2 Mn2 O6 P4 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 19.220(7) |
| Cell length b | 9.315(3) |
| Cell length c | 29.605(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.710(9) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1044 |
| R Factor (All) | 0.1477 |
| Weighted R Factor (Obs) | 0.2713 |
| Weighted R Factor (All) | 0.2982 |
Citation: Butler, Ian R. and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/748)
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