(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2002). E58, i29-i31 [ doi:10.1107/S1600536802003574 ]

Redetermination of copper(II) hydrogenphosphite dihydrate

B. El Bali and W. Massa

Key indicators

Single-crystal X-ray study
T = 193 K
Mean (P-O) = 0.001 Å
R factor = 0.022
wR factor = 0.047
Data-to-parameter ratio = 21.4

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:      0.406     0.710                          
          Tmin' and Tmax expected:      0.653     0.771                         
          RR' =      0.675                                                      
          Please check that your absorption correction is appropriate.          


 Alert Level C:



PLAT_420  Alert C D-H Without Acceptor       P      -   H(1)              ?

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      1.085                            
          Tmax scaled      0.771 Tmin scaled      0.441                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           33.98                 
         From the CIF: _reflns_number_total               1798                  
         Count of symmetry unique reflns         1063                           
         Completeness (_total/calc)            169.14%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       735                           
         Fraction of Friedel pairs measured     0.691                           
         Are heavy atom types Z>Si present          yes                         
          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