Acta Cryst. (2010). E66, m248  [ doi:10.1107/S1600536810003338 ]

Azido(benzoylacetonato-²O,O')[1-phenyl-3-(2-pyridylmethylimino)but-1-en-1-olato-³N,N',O]cobalt(III)

A. Datta, M.-H. Sie, J.-H. Huang and H. M. Lee

Online 3 February 2010

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.007 Å
• R factor = 0.056
• wR factor = 0.147
• Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12
            Rint given   0.143
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         40 Perc.
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co1    --  O3      ..       6.79 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co1    --  N3      ..       6.21 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N4     
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        300 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C23    --  C24     ..       0.16 Ang. 
PLAT482_ALERT_4_C Small D-H..A Angle Rep for C1     ..  O1      ..      99.70 Deg. 
PLAT482_ALERT_4_C Small D-H..A Angle Rep for C26    ..  O2      ..      99.90 Deg. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C10     

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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