(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m390-m392 [ doi:10.1107/S1600536803011279 ]

Diaquaiminodiacetatonickel(II)

Y.-R. Wu, L.-S. Long, R.-B. Huang, L.-S. Zheng and S. W. Ng

Online 31 May 2003

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.008 Å
R factor = 0.054
wR factor = 0.105
Data-to-parameter ratio = 13.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.30                 
         From the CIF: _reflns_number_total               1613                  
         Count of symmetry unique reflns          943                           
         Completeness (_total/calc)            171.05%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       670                           
         Fraction of Friedel pairs measured     0.710                           
         Are heavy atom types Z>Si present          yes                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.