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Acta Cryst. (2010). E66, m1222  [ doi:10.1107/S1600536810035221 ]

catena-Poly[[tribenzyltin(IV)]-[mu]-2-(piperidin-1-ylcarbothioylsulfanyl)acetato-[kappa]2O:O']

T. C. Keng, K. M. Lo and S. W. Ng

Online 8 September 2010

Key indicators

checkCIF/PLATON results

No syntax errors found






Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C54     


Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.33 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     --  C58     ..       5.13 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N2     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C4     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C20     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C44     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C47     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C48     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C56     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         S3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C45     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C49     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C53     
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         10      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         18      
PLAT915_ALERT_3_C Low Friedel Pair Coverage ......................      67.96 Perc.
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT234_ALERT_4_C Large Hirshfeld Difference C3     --  C4      ..       0.22 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C12    --  C13     ..       0.18 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C19    --  C20     ..       0.22 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C39    --  C40     ..       0.16 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C48    --  C49     ..       0.18 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C54    --  C55     ..       0.15 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C55    --  C56     ..       0.16 Ang. 
PLAT731_ALERT_1_C Bond    Calc   1.502(14), Rep    1.501(5) ......       2.80 su-Ra
              C46  -C47     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc   1.483(12), Rep    1.484(5) ......       2.40 su-Ra
              C47  -C48     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc   1.479(11), Rep    1.479(5) ......       2.20 su-Ra
              C48  -C49     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc   1.491(12), Rep    1.491(5) ......       2.40 su-Ra
              C54  -C55     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc   1.491(12), Rep    1.491(5) ......       2.40 su-Ra
              C55  -C56     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc   1.494(16), Rep    1.493(5) ......       3.20 su-Ra
              C56  -C57     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc   1.482(15), Rep    1.483(5) ......       3.00 su-Ra
              C57  -C58     1.555   1.555                                      
PLAT732_ALERT_1_C Angle   Calc    104.8(9), Rep    104.8(4) ......       2.25 su-Ra
              C58  -C57  -C56     1.555   1.555   1.555                        
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         22      


Alert level G
REFLT03_ALERT_4_G 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.
           From the CIF: _diffrn_reflns_theta_max           27.49
           From the CIF: _reflns_number_total              11121
           Count of symmetry unique reflns         6641
           Completeness (_total/calc)            167.46%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      4480
           Fraction of Friedel pairs measured     0.675
           Are heavy atom types Z>Si present        yes
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         89      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    


   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  38 ALERT level C = Check and explain
   5 ALERT level G = General alerts; check

  14 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  16 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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