(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m43-m46 [ doi:10.1107/S160053680102164X ]

Triaqua(2,6-pyridinedicarboxylato)copper(II) at 150 K

A. J. Blake, M. Felloni, P. Hubberstey, C. Wilson and M. Schröder

Online 11 January 2002

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.002 Å
R factor = 0.021
wR factor = 0.061
Data-to-parameter ratio = 13.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.76                 
         From the CIF: _reflns_number_total               2308                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         2544                           
         Completeness (_total/calc)             90.72%                          
          Alert C: < 95% complete                                               

PLAT_369  Alert C Long   C(sp2)-C(sp2) Bond  C2     -   C7     =       1.53 Ang.

PLAT_369  Alert C Long   C(sp2)-C(sp2) Bond  C6     -   C8     =       1.53 Ang.


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check