(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, m96
[ doi:10.1107/S1600536813000573 ]

Bis{2-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-1-ido}palladium(II)

W. Imhof

Key indicators

Single-crystal X-ray study
T = 183 K
Mean (C-C) = 0.004 Å
R factor = 0.032
wR factor = 0.082
Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         18      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pd1    --  N1      ..        8.7 su   
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          2      
              C28 H30 N4 Pd                                                    
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         56      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check