Acta Cryst. (2003). E59, m165-m167  [ doi:10.1107/S1600536803005567 ]

catena-Poly[disodium [[tris(formato-O)copper(II)]-₂-formato-²O:O']], with partial substitution of formate by acetate, Na_2n[Cu(O₂CH)_4-x(O₂CCH₃)_x]_n (x = 0.28)

A. Golobic, K. Klancar and P. Segedin

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (O-C) = 0.002 Å
• R factor = 0.026
• wR factor = 0.018
• Data-to-parameter ratio = 12.9

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_type* data.      
          Atom count from _chemical_formula_sum:C4.28 H4.56 Cu1 Na2 O8          
          Atom count from the _atom_type data:  C4.25 H4.5 Cu1 Na2 O8           

CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    4                               
         From the CIF: _chemical_formula_sum  C4.28 H4.56 Cu1 Na2 O8 
         TEST: Compare cell contents of formula and atom_type data              
                                                                                
         atom    Z*formula  atom_type diff                                      
         H         18.24     18.26    0.02                                      
         Cu         4.00      4.00    0.00                                      
         O         32.00     32.00    0.00                                      
         C         17.12     17.13    0.01                                      
         Na         8.00      8.00    0.00                                      
          WARNING: Cell contents from the formula and atom_type data differ!    

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