Acta Cryst. (2011). E67, m209  [ doi:10.1107/S1600536811001280 ]

catena-Poly[[aquabis[2-(3-benzoylphenyl)propanoato-²O¹,O^1']cadmium(II)]--4,4'-bipyridine-²N:N']

T. Jiang and S. W. Ng

Online 15 January 2011

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• Disorder in main residue
• R factor = 0.032
• wR factor = 0.083
• Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C2     --  C3'     ..      13.67 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cd1    --  O2      ..      17.84 su   
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         C2     

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.69      
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  O1      ..       7.77 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cd1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C3'     
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          4      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         11      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          9      

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................       4.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          3      

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 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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