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bis(2-Hydroxy-2,2-diphenylacetato)-triphenyl-bismuth

Sample Originator: Michael B. Hursthouse, Thomas Gelbrich, J. F. Costello, Simon J. Coles and H. Barucki.

C46H37BiO6

InChI=1/2C14H12O3.3C6H5.Bi/c2*15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2-4-6-5-3-1;/h2*1-10,17H,(H,15,16);3*1-5H;/q;;;;;+2/p-2

Identification Number:10.5258/ecrystals/95
Date Created:14 June 1999
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC46 H37 Bi O6
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a10.102(2)
Cell length b20.609(4)
Cell length c18.706(4)
Cell angle alpha90.00
Cell angle beta103.59(3)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit0.0314
R Factor (Obs)0.0267
R Factor (All)0.0319
Weighted R Factor (Obs)0.0794
Weighted R Factor (All)0.0878

Citation: Hursthouse, Michael B. and Gelbrich, Thomas and Costello, J. F. and Coles, Simon J. and Barucki, H. (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/95)
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Available Files

Final Result

99src156.CIF20k
99src156.cml12k

Validation

99src156_checkcif.htm9k

Refinement

99src156.res12k
99src156_xl.lst59k

Solution

99src156.PRP4k
99src156_xs.lst65k

Other Files

99src156.mol7k
99src156_ellipsoid.gif28k

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