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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
Date Created:08 May 1998
Deposited On:14 Aug 2013 23:45
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC50 H72 Br2 Fe2 Mn2 O6 P4
Crystal morphology
Crystal systemmonoclinic
Space group symbolC2/c
Cell length a19.220(7)
Cell length b9.315(3)
Cell length c29.605(10)
Cell angle alpha90.00
Cell angle beta99.710(9)
Cell angle gamma90.00
Data collection temperature293(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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Available Files

Final Result

98SRC116.cif20k
98SRC116.cml10k

Validation

98SRC116_checkcif.htm12k

Refinement

98SRC116.res9k

Processing

98SRC116.HKL248k

Other Files

98SRC116.inchi3k
98SRC116.mol5k
98SRC116_ellipsoid.gif27k
98src116.doc48k

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