Acta Cryst. (2010). E66, m563  [ doi:10.1107/S1600536810014212 ]

(Dimethylformamide-O)[2-methoxy-6-(2-pyridylmethyliminomethyl)phenolato-³N,N',O¹](thiocyanato-N)copper(II)

Q. Bao, X. Chen, R. Rong and F. Shi

Online 24 April 2010

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• Disorder in main residue
• R factor = 0.036
• wR factor = 0.090
• Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3     --  C16     ..       5.69 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N4     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C15     
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         53      

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................       4.00 Perc.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      26.50 Deg. 
              S1'  -C15  -S1      1.555   1.555   1.555                        

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

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


checkCIF publication errors

Alert level G
PUBL013_ALERT_1_G The _publ_section_comment (discussion of study) is
            missing. This is required for a full paper submission (but is
            optional for an electronic paper).

   0 ALERT level A = Data missing that is essential or data in wrong format
   1 ALERT level G = General alerts. Data that may be required is missing

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