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Acta Cryst. (2010). E66, m290  [ doi:10.1107/S1600536810004964 ]

Tetrakis(1-ethyl-1H-imidazole-[kappa]N3)bis(thiocyanato-[kappa]N)cadmium(II)

R.-X. Li, Q.-Y. Wu and F.-Q. Liu

Online 13 February 2010

Key indicators

checkCIF/PLATON results

No syntax errors found






Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N1     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C2     
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         10      
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C11    -   C12    ...       1.43 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         12      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H18A   ..  N1      ..       2.81 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8A    ..  N2      ..       2.72 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A    ..  N5      ..       2.97 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5A    ..  N1      ..       2.98 Ang. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported C5     ..  N1      ..       3.87 Ang. 
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          6      


Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)       3000 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    
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            N3  -CD1 -N7  -C13  -103.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6     
            N3  -CD1 -N7  -C15    81.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         13     
            N7  -CD1 -N3  -C3    -77.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         18     
            N7  -CD1 -N3  -C5     97.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         22     
            N9  -CD1 -N5  -C8    -69.00  5.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         27     
            N9  -CD1 -N5  -C10   111.00  5.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         35     
            N2  -CD1 -N1  -C1    -59.00  6.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         36     
            CD1 -N1  -C1  -S1    122.00 22.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         38     
            N5  -CD1 -N9  -C18  -103.00  5.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         43     
            N5  -CD1 -N9  -C20    59.00  5.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         51     
            N1  -CD1 -N2  -C2   -129.00  6.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         52     
            CD1 -N2  -C2  -S2    -23.00 18.00   1.555   1.555   1.555   1.555  


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

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

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