(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m51-m52 [ doi:10.1107/S1600536802000077 ]

Chloro(1,5-cyclooctadiene)(triphenylphosphine)rhodium(I)

Q. L. Horn, D. S. Jones, R. N. Evans, C. A. Ogle and T. C. Masterman

Online 18 January 2002

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.011 Å
R factor = 0.036
wR factor = 0.046
Data-to-parameter ratio = 10.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



DIFF_012  Alert A _diffrn_reflns_av_R_equivalents is missing                    
          R factor for symmetry-equivalent intensities.                         
          The following tests will not be performed                             
          RINTA                                                                 

SHFSU_01  Alert A The absolute value of parameter shift to su ratio > 0.20      
          Absolute value of the parameter shift to su ratio given   0.280       
          Additional refinement cycles may be required.                         


 Alert Level C:



GOODF_01  Alert C The least squares goodness of fit parameter lies              
          outside the range 0.80 <> 2.00                                        
          Goodness of fit given =      2.180                                    

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.25                 
         From the CIF: _reflns_number_total               3170                  
         Count of symmetry unique reflns         3152                           
         Completeness (_total/calc)            100.57%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured        18                           
         Fraction of Friedel pairs measured     0.006                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 2 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check