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Acta Cryst. (2012). E68, m733-m734
[ doi:10.1107/S1600536812019009 ]

A triclinic polymorph of poly[[bis[[mu]-1,2-bis(pyridin-4-yl)ethene-[kappa]2N:N']bis(thiocyanato-[kappa]N)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate]

S. Wöhlert, I. Jess and C. Näther

Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level A
PLAT924_ALERT_1_A The Reported and Calculated Rho(min) Differ by .       6.97 eA-3 
PLAT925_ALERT_1_A The Reported and Calculated Rho(max) Differ by .       3.20 eA-3 
PLAT926_ALERT_1_A Reported and Calculated   R1 Differ by .........    -0.0988      
PLAT927_ALERT_1_A Reported and Calculated  wR2 Differ by .........    -0.2178      
PLAT974_ALERT_2_A Large Calcd. Negative Residual Density on    Co3      -7.65 eA-3 
PLAT974_ALERT_2_A Large Calcd. Negative Residual Density on    Co2      -7.14 eA-3 
PLAT974_ALERT_2_A Large Calcd. Negative Residual Density on    Co1      -5.90 eA-3 


Alert level B
THETM01_ALERT_3_B  The value of sine(theta_max)/wavelength is less than 0.575
            Calculated sin(theta_max)/wavelength =    0.5734
PLAT023_ALERT_3_B Resolution (too) Low [sin(theta)/Lambda < 0.6]..      24.05 Deg. 
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......      0.958      
PLAT928_ALERT_1_B Reported and Calculated    S value   Differ by .     -1.138      
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -3.26 eA-3 
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -3.03 eA-3 
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.96 eA-3 
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.88 eA-3 
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.85 eA-3 


Alert level C
PLAT213_ALERT_2_C Atom C7              has ADP max/min Ratio .....        3.1 oblat
PLAT213_ALERT_2_C Atom C42             has ADP max/min Ratio .....        3.4 prola
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co3    --  N82_i   ..        6.5 su   
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.4      
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.5      
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0075 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          6      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.572        540      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....         11      
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.84 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.56 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.29 eA-3 


Alert level G
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          2      
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          2      
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          2      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT Unusually Large.       0.10      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          54 Perc.


   7 ALERT level A = Most likely a serious problem - resolve or explain
   9 ALERT level B = A potentially serious problem, consider carefully
  12 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   6 ALERT level G = General information/check it is not something unexpected

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

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