(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m65-m67 [ doi:10.1107/S1600536802001642 ]

Bis(triphenylstannyl)borate toluene solvate

S. J. Coles, D. E. Hibbs, M. B. Hursthouse, M. A. Beckett, P. Owen and K. S. Varma

Online 31 January 2002

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.009 Å
H-atom completeness 80%
Disorder in solvent or counterion
R factor = 0.033
wR factor = 0.078
Data-to-parameter ratio = 11.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.84                 
         From the CIF: _reflns_number_total               5411                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         6661                           
         Completeness (_total/calc)             81.23%                          
          Alert A: < 85% complete (theta max?)                                  


 Alert Level C:



PLAT_302  Alert C Anion/Solvent Disorder .......................      36.00 Perc.

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:C43 H39 B1 O3 Sn2               
          Atom count from the _atom_site data:  C43 H31 B1 O3 Sn2               

CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    8                               
         From the CIF: _chemical_formula_sum  C43 H39 B O3 Sn2                  
         TEST: Compare cell contents of formula and atom_site data              
                                                                                
         atom    Z*formula  cif sites diff                                      
         C        344.00    344.00    0.00                                      
         H        312.00    248.00   64.00                                      
         B          8.00      8.00    0.00                                      
         O         24.00     24.00    0.00                                      
         Sn        16.00     16.00    0.00                                      
          Difference between formula and atom_site contents detected.           
          WARNING: H atoms missing from atom site list. Is this intentional?    


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check