Acta Cryst. (2011). E67, m499-m500  [ doi:10.1107/S1600536811009949 ]

catena-Poly[copper(II)-{₃-4,4'-dibromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-⁴N,O:N',O':O'}]

H. Kargar and R. Kia

Online 26 March 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.006 Å
• R factor = 0.049
• wR factor = 0.139
• Data-to-parameter ratio = 26.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .          5      

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.02      
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         17      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          5      
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.35 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.22 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.71 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.60 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.58 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.54 eA-3 

Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      32.12      
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1     (II)          2.19      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ..           1      

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

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

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