Acta Cryst. (2003). E59, i22-i24  [ doi:10.1107/S1600536803001892 ]

Pr₃MoO₇

N. Barrier and P. Gougeon

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Mo-O) = 0.004 Å
• R factor = 0.029
• wR factor = 0.067
• Data-to-parameter ratio = 33.1

checkCIF results

No syntax errors found


 Alert Level B:



PLAT_111  Alert B ADDSYM Detects (Pseudo) Centre of Symmetry ...         81 Perc Fit

PLAT_112  Alert B ADDSYM Detects Additional (Pseudo) Symm. Elem.          b

PLAT_112  Alert B ADDSYM Detects Additional (Pseudo) Symm. Elem.          n

PLAT_112  Alert B ADDSYM Detects Additional (Pseudo) Symm. Elem.          m

PLAT_113  Alert B ADDSYM Suggests Possible Pseudo/New Spacegroup       Pnma


 Alert Level C:



STRVAL_01                                                                       
         From the CIF: _refine_ls_abs_structure_Flack    0.490                  
         From the CIF: _refine_ls_abs_structure_Flack_su    0.030               
           Alert C Flack test results are ambiguous.                            

PLAT_741  Alert C Bond    Calc   3.7752(3), Rep     3.77520 ....    Missing s.u.
                     PR3  -PR3     1.555   2.565

PLAT_741  Alert C Bond    Calc   3.7752(3), Rep     3.77520 ....    Missing s.u.
                     PR3  -PR3     1.555   2.465

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      1.189                            
          Tmax scaled      0.267 Tmin scaled      0.165                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           37.79                 
         From the CIF: _reflns_number_total               3345                  
         Count of symmetry unique reflns         1923                           
         Completeness (_total/calc)            173.95%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1422                           
         Fraction of Friedel pairs measured     0.739                           
         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

 5 Alert Level B = Potential problem

 3 Alert Level C = Please check

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