(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m77-m79 [ doi:10.1107/S1600536802002295 ]

Bis(8-hydroxyquinolinato)oxopropoxovanadium(V)

N. Okabe, Y. Muranishi and M. Odoko

Online 8 February 2002

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.007 Å
H-atom completeness 85%
R factor = 0.053
wR factor = 0.176
Data-to-parameter ratio = 17.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_213  Alert C Atom C2P     has ADP max/min Ratio ...........       3.10 prolate

PLAT_320  Alert C Check Hybridisation of  C2P    in main residue          ?

PLAT_320  Alert C Check Hybridisation of  C3P    in main residue          ?

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:C21 H19 N2 O4 V1                
          Atom count from the _atom_site data:  C21 H16 N2 O4 V1                

CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    2                               
         From the CIF: _chemical_formula_sum  C21 H19 N2 O4 V                   
         TEST: Compare cell contents of formula and atom_site data              
                                                                                
         atom    Z*formula  cif sites diff                                      
         C         42.00     42.00    0.00                                      
         H         38.00     32.00    6.00                                      
         N          4.00      4.00    0.00                                      
         O          8.00      8.00    0.00                                      
         V          2.00      2.00    0.00                                      
          Difference between formula and atom_site contents detected.           
          WARNING: H atoms missing from atom site list. Is this intentional?    


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check