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97SRC027 (991) - C17H11BrFeMoO6

Sample Originator: Ian. R. Butlera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Wales, Bangora
University of Southamptonb

C17H11BrFeMoO6

InChI=1/C7H7O.C5H4Br.5CH3O.Fe.Mo/c1-8-6-7-4-2-3-5-7;6-5-3-1-2-4-5;5*1-2;;/h2-5H,1H3;1-4H;5*2H,1H2;;

Date Created:13 February 1997
Deposited On:23 Dec 2014 13:37
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC17 H11 Br Fe Mo O6
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a10.655(4)
Cell length b12.3456(6)
Cell length c14.319(2)
Cell angle alpha90.00
Cell angle beta103.142(11)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.0586
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Butler, Ian. R. and Coles, Simon J. and Hursthouse, Michael B. (1997) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/766/)
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Available Files

Final Result

97SRC027.CIF14k
97SRC027.cml6k

Validation

97SRC027_checkcif.htm14k

Refinement

97SRC027.res5k

Processing

97SRC027.HKL211k

Other Files

97SRC027.inchi2k
97SRC027.mol3k
97SRC027.txt14k
97SRC027_ellipsoid.gif27k

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