Acta Cryst. (2006). E62, m3410-m3411  [ doi:10.1107/S1600536806047957 ]

(5-Methoxy-2-oxidoacetophenone 4-methylthiosemicarbazonato-³O,N,S)pyridinenickel(II)

P. X. García-Reynaldos, S. Hernández-Ortega and J. Valdés-Martínez

Online 22 November 2006

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.005 Å
• R factor = 0.047
• wR factor = 0.083
• Data-to-parameter ratio = 17.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.90      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   C10     ..       5.10 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     -   C2      ..       5.37 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         S1     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.849(10) ......       3.00 su-Ra
              N3   -H3A     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.849(10) ......       3.00 su-Ra
              N3   -H3A     1.555   1.555                                      
PLAT736_ALERT_1_C H...A   Calc     2.73(3), Rep   2.728(11) ......       2.73 su-Ra
              H3A  -S1      1.555   3.666                                      

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

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

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