(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2002). E58, m90-m92 [ doi:10.1107/S1600536802002404 ]

Tris(pentafluorophenyl)[2-(diphenylphosphino)thiophenol-P]gold(III) dichloromethane solvate

P. G. Jones, R. Terroba, E. Fernández and M. Laguna

Online 22 February 2002

Key indicators

Single-crystal X-ray study
T = 143 K
Mean (C-C) = 0.008 Å
Disorder in solvent or counterion
R factor = 0.032
wR factor = 0.072
Data-to-parameter ratio = 12.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



ABSTM_02  Alert B The ratio of expected to reported Tmax/Tmin(RR) is > 1.50     
          Tmin and Tmax reported:      0.527     0.960                          
          Tmin and Tmax expected:      0.195     0.593                          
          RR =      1.670                                                       
          Please check that your absorption correction is appropriate.

Author response: Despite eminently sensible-looking psi-scans, the minimum transmission is not as low as expected. Possible reasons: (i) The crystal size may be slightly inaccurate (oildrop) or (ii) No X-ray beam actually traversed the longest crystal dimension.


 Alert Level C:



PLAT_202  Alert C Isotropic non-H Atoms in Anion/Solvent       =          1

PLAT_213  Alert C Atom F3      has ADP max/min Ratio ...........       3.10 prolate

PLAT_302  Alert C Anion/Solvent Disorder .......................      50.00 Perc.

PLAT_420  Alert C D-H Without Acceptor       S      -   H0                ?

PLAT_731  Alert C Bond    Calc     1.33(5), Rep   1.331(19) ....       2.63 s.u-Ratio
                     S    -H0      1.555   1.555

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      0.618                            
          Tmax scaled      0.593 Tmin scaled      0.326                         


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 5 Alert Level C = Please check