Acta Cryst. (2001). E57, m390-m392  [ doi:10.1107/S1600536801010467 ]

[(CH₃)₂NH₂]₄[H₄PMo₁₂O₄₀]Cl₂·4H₂O

C.-D. Wu, C.-Z. Lu, X. Lin, W.-B. Yang, H.-H. Zhuang and J.-S. Huang

Online 10 August 2001

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (N-C) = 0.013 Å
• H-atom completeness 55%
• R factor = 0.034
• wR factor = 0.090
• Data-to-parameter ratio = 13.3

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:C8 H44 Cl2 Mo12 N4 O44 P1       
          Atom count from the _atom_site data:  C8 H24 Cl2 Mo12 N4 O44 P1       

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      0.845                            
          Tmax scaled      0.539 Tmin scaled      0.260                         

CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    4                               
         From the CIF: _chemical_formula_sum  C8 H44 Cl2 Mo12 N4 O44 P          
         TEST: Compare cell contents of formula and atom_site data              
                                                                                
         atom    Z*formula  cif sites diff                                      
         C         32.00     32.00    0.00                                      
         H        176.00     96.00   80.00                                      
         Cl         8.00      8.00    0.00                                      
         Mo        48.00     48.00    0.00                                      
         N         16.00     16.00    0.00                                      
         O        176.00    176.00    0.00                                      
         P          4.00      4.00    0.00                                      
          Difference between formula and atom_site contents detected.           
          WARNING: H atoms missing from atom site list. Is this intentional?    

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