(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]
Acta Cryst. (2003). E59, o183-o185 [ doi:10.1107/S1600536803000850 ]
Bis(cinchonidinium) L-tartrate dihydrate

H. Zhang, Z.-Y. Lin, Z.-H. Zhou and S. W. Ng

Online 17 January 2003
Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.005 Å
R factor = 0.045
wR factor = 0.130
Data-to-parameter ratio = 7.8
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 < 0.75    
          Tmin and Tmax reported:      0.498     0.876                          
          Tmin' and Tmax expected:      0.964     0.980                         
          RR' =      0.578                                                      
          Please check that your absorption correction is appropriate.          

PLAT_731  Alert B Bond    Calc     0.86(5), Rep   0.870(10) ....       5.00 su-Ratio
                     O1W  -H1W1    1.555   1.555

PLAT_735  Alert B D-H     Calc     0.86(5), Rep   0.870(10) ....       5.00 su-Ratio
                     O1W  -H1W1    1.555   1.555


 Alert Level C:



PLAT_731  Alert C Bond    Calc     0.84(4), Rep   0.850(10) ....       4.00 su-Ratio
                     O4   -H4O     1.555   1.555

PLAT_731  Alert C Bond    Calc     0.87(4), Rep   0.860(10) ....       4.00 su-Ratio
                     O1W  -H1W2    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.86(3), Rep   0.870(10) ....       3.00 su-Ratio
                     N1   -H1N     1.555   1.555

PLAT_732  Alert C Angle   Calc      106(5), Rep      106(2) ....       2.50 su-Ratio
                     H1W1 -O1W  -H1W2    1.555   1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(3), Rep   0.840(10) ....       3.00 su-Ratio
                     O1   -H1O     1.555   1.555

PLAT_735  Alert C D-H     Calc     0.86(3), Rep   0.870(10) ....       3.00 su-Ratio
                     N1   -H1N     1.555   1.555

PLAT_735  Alert C D-H     Calc     0.84(4), Rep   0.850(10) ....       4.00 su-Ratio
                     O4   -H4O     1.555   1.555

PLAT_735  Alert C D-H     Calc     0.87(4), Rep   0.860(10) ....       4.00 su-Ratio
                     O1W  -H1W2    1.555   1.555

PLAT_736  Alert C H...A   Calc     1.84(3), Rep   1.830(10) ....       3.00 su-Ratio
                     H1N  -O2      1.555   1.545

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      1.118                            
          Tmax scaled      0.980 Tmin scaled      0.557                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.00                 
         From the CIF: _reflns_number_total               2094                  
         Count of symmetry unique reflns         2104                           
         Completeness (_total/calc)             99.52%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         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

 3 Alert Level B = Potential problem

 9 Alert Level C = Please check