(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o285-o287 [ doi:10.1107/S1600536802002660 ]

Cirsimaritin

N.H.-H. Chou, M. Parvez, M. S. Ali, S. Ahmed and W. Ahmed

Online 22 February 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.048
wR factor = 0.157
Data-to-parameter ratio = 18.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_030  Alert B Refined Extinction parameter within range ....       1.00 Sigma


 Alert Level C:



ABSMU_01  Alert C The ratio of given/expected absorption coefficient lies       
          outside the range 0.99 <> 1.01                                        
          Calculated value of mu =     0.111                                    
          Value of mu given      =     0.110                                    

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           30.00                 
         From the CIF: _reflns_number_total               3958                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         4185                           
         Completeness (_total/calc)             94.58%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 2 Alert Level C = Please check