(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]
Acta Cryst. (2002). E58, m326-m327 [ doi:10.1107/S160053680200956X ]
Diaquadi(L-lactato)nickel(II)

Z.-H. Zhou, J.-J. Ye, H. Zhong and S. W. Ng

Online 8 June 2002
Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.010 Å
R factor = 0.047
wR factor = 0.113
Data-to-parameter ratio = 8.9
checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_731  Alert B Bond    Calc     0.85(5), Rep   0.850(10) ....       5.00 s.u-Ratio
                     O3   -H3O     1.555   1.555

PLAT_731  Alert B Bond    Calc     0.85(5), Rep   0.850(10) ....       5.00 s.u-Ratio
                     O6   -H6O     1.555   1.555

PLAT_735  Alert B D-H     Calc     0.85(5), Rep   0.850(10) ....       5.00 s.u-Ratio
                     O3   -H3O     1.555   1.555

PLAT_735  Alert B D-H     Calc     0.85(5), Rep   0.850(10) ....       5.00 s.u-Ratio
                     O6   -H6O     1.555   1.555

PLAT_736  Alert B H...A   Calc     1.81(6), Rep   1.810(10) ....       6.00 s.u-Ratio
                     H3O  -O4      1.555   3.456


 Alert Level C:



PLAT_731  Alert C Bond    Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O1W  -H1W2    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O2W  -H2W1    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O2W  -H2W2    1.555   1.555

PLAT_732  Alert C Angle   Calc      108(6), Rep      110(2) ....       3.00 s.u-Ratio
                     H1W1 -O1W  -H1W2    1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc      110(6), Rep      110(2) ....       3.00 s.u-Ratio
                     H2W1 -O2W  -H2W2    1.555   1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O1W  -H1W1    1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O1W  -H1W2    1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O2W  -H2W2    1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O2W  -H2W1    1.555   1.555

PLAT_736  Alert C H...A   Calc     1.92(5), Rep     1.92(2) ....       2.50 s.u-Ratio
                     H2W2 -O2      1.555   1.455

PLAT_736  Alert C H...A   Calc     1.85(5), Rep     1.85(2) ....       2.50 s.u-Ratio
                     H2W1 -O4      1.555   2.555

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      1.074                            
          Tmax scaled      0.750 Tmin scaled      0.656                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.50                 
         From the CIF: _reflns_number_total               1375                  
         Count of symmetry unique reflns         1375                           
         Completeness (_total/calc)            100.00%                          
         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          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 5 Alert Level B = Potential problem

 11 Alert Level C = Please check