Acta Cryst. (2003). E59, m61-m63  [ doi:10.1107/S1600536803000710 ]

(Piperidine-N)[N-(salicylidene)phenylalaninato-³O,N,O']copper(II)

R. J. Butcher, G. M. Mockler and O. McKern

Online 24 January 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.036
• wR factor = 0.082
• Data-to-parameter ratio = 14.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_420  Alert C D-H Without Acceptor       N(2)   -   H(2A)             ?

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #      2
                   O2  -CU  -O1  -C2      9.80  1.20   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #      4
                   O1  -CU  -O2  -C9     19.80  1.20   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #      9
                   N2  -CU  -N1  -C7   -161.50  1.50   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     12
                   N2  -CU  -N1  -C8     31.10  1.80   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     14
                   N1  -CU  -N2  -C25   -25.00  1.80   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     17
                   N1  -CU  -N2  -C21   105.80  1.60   1.555   1.555   1.555   1.555

PLAT_711  Alert C BOND    Unknown or Inconsistent Label ........       O3A
                           CU     O3A

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       O3A
                           O3A    CU     O1

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       O3A
                           O3A    CU     O2

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       O3A
                           O3A    CU     N1

PLAT_712  Alert C ANGLE   Unknown or Inconsistent Label ........       O3A
                           O3A    CU     N2

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      1.663                            
          Tmax scaled      0.790 Tmin scaled      0.562                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           32.50                 
         From the CIF: _reflns_number_total               3609                  
         Count of symmetry unique reflns         3429                           
         Completeness (_total/calc)            105.25%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       180                           
         Fraction of Friedel pairs measured     0.052                           
         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

 0 Alert Level B = Potential problem

 12 Alert Level C = Please check

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