(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2002). E58, i127-i129 [ doi:10.1107/S160053680202161X ]

Cd₃Se₃O₁₀, isotypic with its mercury analogue

M. Weil

Online 30 November 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (Se-O) = 0.004 Å
R factor = 0.018
wR factor = 0.044
Data-to-parameter ratio = 17.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



DIFF_019  Alert A _diffrn_standards_number is missing                           
          Number of standards used in measurement.

Author response: An area detector system (CCD camera) was used for data collection. No standard reflections were measured.

DIFF_020  Alert A _diffrn_standards_interval_count and                          
          _diffrn_standards_interval_time are missing. Number of measurements   
          between standards or time (min) between standards.

Author response: An area detector system (CCD camera) was used for data collection. No standard reflections were measured.

DIFF_022  Alert A _diffrn_standards_decay_% is missing                          
          Percentage decrease in standards intensity.

Author response: An area detector system (CCD camera) was used for data collection. No standard reflections were measured.

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      0.905                            
          Tmax scaled      0.468 Tmin scaled      0.105                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           30.47                 
         From the CIF: _reflns_number_total               2497                  
         Count of symmetry unique reflns         1522                           
         Completeness (_total/calc)            164.06%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       975                           
         Fraction of Friedel pairs measured     0.641                           
         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.          


 3 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 0 Alert Level C = Please check

Cd3Se3O10, isotypic with its mercury analogue

M. Weil

Key indicators

checkCIF results

Cd₃Se₃O₁₀, isotypic with its mercury analogue