Acta Cryst. (2010). E66, m556-m557  [ doi:10.1107/S1600536810013954 ]

Diaquabis(N,N-diethylnicotinamide-N¹)bis(4-methylbenzoato-O)cobalt(II)

H. Necefoglu, E. Çimen, B. Tercan, E. Ermis and T. Hökelek

Online 21 April 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.038
• wR factor = 0.090
• Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.33 Ratio
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C9      ..       2.99 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         81      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      

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

   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
   3 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

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