Acta Cryst. (2011). E67, m1327  [ doi:10.1107/S1600536811033800 ]

{N,N-Bis[2-(diphenylphosphanyl)ethyl]aniline}(²-dibenzylideneacetone)palladium(0)

S. G. Keskin, J. M. Stanley, M. L. Mejía and B. J. Holliday

Online 14 September 2011

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.004 Å
• R factor = 0.041
• wR factor = 0.089
• Data-to-parameter ratio = 18.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .          2      
PLAT973_ALERT_2_B Large Calcd. Positive Residual Density on    Pd1       1.74 eA-3 

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.34      
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         30      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        140      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pd1    --  P2      ..        5.7 su   
PLAT303_ALERT_2_G Full Occupancy H-Atom  H41    with # Connections          2      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          4      

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

   0 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
   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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