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98SRC117(1127) - C25H36BrFeO3P2Re

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

C25H36BrFeO3P2Re

InChI=1/C11H19P.C11H18P.3CH3O.BrH.Fe.Re/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;3*1-2;;;/h5-11H,1-4H3;5-10H,1-4H3;3*2H,1H2;1H;;/q;;;;;;;-1/p+1

Identification Number:10.5258/ecrystals/747
Date Created:06 May 1998
Deposited On:14 Aug 2013 23:46
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC25 H36 Br Fe O3 P2 Re
Crystal morphology
Crystal systemmonoclinic
Space group symbolC2/c
Cell length a19.348(4)
Cell length b9.607(2)
Cell length c30.063(6)
Cell angle alpha90.00
Cell angle beta99.63(3)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0552
R Factor (All)0.0748
Weighted R Factor (Obs)0.1352
Weighted R Factor (All)0.1386

Citation: Butler, Ian R. and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/747)
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Available Files

Final Result

98SRC117.cif20k
98SRC117.cml10k

Validation

98SRC117_checkcif.htm11k

Refinement

98SRC117.res11k

Processing

98SRC117.HKL298k

Other Files

98SRC117.inchi3k
98SRC117.mol5k
98SRC117_ellipsoid.gif28k
98src117.doc48k

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