Acta Cryst. (2002). E58, m746-m747  [ doi:10.1107/S1600536802020706 ]

Diaqua(N-salicylidene-L-2-phenylglycinate-³N,O,O')copper(II)

J. Weng, M. Hong, R. Cao, W. Bi and A. S. C. Chan

Online 30 November 2002

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.025
• wR factor = 0.046
• Data-to-parameter ratio = 6.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



SHFSU_01  Alert B The absolute value of parameter shift to su ratio > 0.10      
          Absolute value of the parameter shift to su ratio given   0.116       
          Additional refinement cycles may be required.                         


 Alert Level C:



PLAT_031  Alert C Refined Extinction Parameter within Range ....       2.58 Sigma

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.48                 
         From the CIF: _reflns_number_total               1757                  
         Count of symmetry unique reflns         1761                           
         Completeness (_total/calc)             99.77%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 1 Alert Level C = Please check

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