(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o1143-o1144 [ doi:10.1107/S1600536801018529 ]

4,5,4',5'-Tetrakis(2-methyl-thiophen-3-yl)-[2,2']bi[[1,3]dithiolylidene]

T. Gelbrich, S. J. Roberts-Bleming, M. Kalaji, P. J. Murphy and M. B. Hursthouse

Online 10 November 2001

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.009 Å
R factor = 0.072
wR factor = 0.138
Data-to-parameter ratio = 11.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



THETM_01  Alert B The value of sine(theta_max)/wavelength is less than 0.575    
          Calculated sin(theta_max)/wavelength =    0.5606                      


 Alert Level C:



CELLV_02  Alert C The supplied cell volume s.u. differs from that               
          calculated from the cell parameter s.u.'s by > 2                      
          Calculated cell volume su =       8.23                                
          Cell volume su given      =       6.00                                

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           23.48                 
         From the CIF: _reflns_number_total               3519                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3849                           
         Completeness (_total/calc)             91.43%                          
          Alert C: < 95% complete                                               

RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.117                                                    


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 3 Alert Level C = Please check