(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m212-m214 [ doi:10.1107/S1600536802006773 ]

Lithium borodilactate

S. Dhanuskodi, P. A. Angeli Mary, S. Thamotharan and V. Parthasarathi

Online 25 April 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.028
wR factor = 0.079
Data-to-parameter ratio = 6.4

checkCIF results

No syntax errors found


 Alert Level B:



PLAT_111  Alert B ADDSYM detects (pseudo) centre of symmetry ...         85 Perc Fit


 Alert Level C:



WEIGH_01  Alert C Extra text has been found in the                              
          _refine_ls_weighting_scheme field. This should be in the              
          _refine_ls_weighting_details field.                                   
          Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.0558P)^2^+0.114 
          Weighting scheme identified as calc                                   

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.96                 
         From the CIF: _reflns_number_total               1655                  
         Count of symmetry unique reflns         1639                           
         Completeness (_total/calc)            100.98%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured        16                           
         Fraction of Friedel pairs measured     0.010                           
         Are heavy atom types Z>Si present           no                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.          


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 1 Alert Level C = Please check