Acta Cryst. (2009). E65, m389-m390  [ doi:10.1107/S1600536809008265 ]

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

M. Sertçelik, B. Tercan, E. Sahin, H. Necefoglu and T. Hökelek

Online 11 March 2009

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.008 Å
• R factor = 0.069
• wR factor = 0.195
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.06 Ratio

Alert level C
            Value of measurement temperature given =   294.000
            Value of melting point given =     0.000
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.08      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.25 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C15     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          7      
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          1      
PLAT234_ALERT_4_C Large Hirshfeld Difference N2     --  C17     ..       0.11  Ang.

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

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   6 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
   3 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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