98SRC116 (1128) - C50H72Br2Fe2Mn2O6P4
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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