Acta Cryst. (2002). E58, i68-i69  [ doi:10.1107/S1600536802011145 ]

Ammonium mercury(II) dichloride nitrate, (NH₄)₂HgCl₂(NO₃)₂

P. Nockemann and G. Meyer

Online 12 July 2002

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Hg-Cl) = 0.001 Å
• H-atom completeness 1%
• R factor = 0.019
• wR factor = 0.047
• Data-to-parameter ratio = 15.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



FORMU_01  There is a discrepancy between the atom counts in the                 
          _chemical_formula_sum and the formula from the _atom_site* data.      
          Atom count from _chemical_formula_sum:H8 Cl2 Hg1 N4 O6                
          Atom count from the _atom_site data:  Cl2 Hg1 N4 O6                   

CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    4                               
         From the CIF: _chemical_formula_sum  Cl2 H8 Hg N4 O6                   
         TEST: Compare cell contents of formula and atom_site data              
                                                                                
         atom    Z*formula  cif sites diff                                      
         Cl         8.00      8.00    0.00                                      
         H         32.00      0.00   32.00                                      
         Hg         4.00      4.00    0.00                                      
         N         16.00     16.00    0.00                                      
         O         24.00     24.00    0.00                                      
          Difference between formula and atom_site contents detected.           
          WARNING: H atoms missing from atom site list. Is this intentional?    

CHEMW_03                                                                        
         From the CIF: _cell_formula_units_Z                    4               
         From the CIF: _chemical_formula_weight           431.59                
         TEST: Calculate formula weight from _atom_site_*                       
         atom     mass    num     sum                                           
         Hg      200.59    1.00  200.59                                         
         Cl       35.45    2.00   70.91                                         
         O        16.00    6.00   95.99                                         
         N        14.01    4.00   56.03                                         
         Calculated formula weight              423.52                          
          The ratio of given/expected molecular weight as calculated            
          from the _atom_site* data lies outside                                
          the range 0.99 <> 1.01                                                

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