Acta Cryst. (2010). E66, m392-m393  [ doi:10.1107/S1600536810008366 ]

Aquabis(isonicotinamide-N¹)bis(4-methylbenzoato)-O;²O,O'-cadmium(II) monohydrate

H. Necefoglu, E. Çimen, B. Tercan, Y. Süzen and T. Hökelek

Online 13 March 2010

Key indicators

• Single-crystal X-ray study
• T = 102 K
• Mean (C-C) = 0.002 Å
• R factor = 0.020
• wR factor = 0.053
• Data-to-parameter ratio = 17.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cd1    --  O4      ..      11.80 su   

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  O1      ..       6.44 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  N3      ..       7.06 su   
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         21      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         64      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 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
   1 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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