Acta Cryst. (2012). E68, m46  [ doi:10.1107/S1600536811052949 ]

Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato-²N¹,O²)copper(II)

F. Shi, J. Deng and H. Dai

Online 14 December 2011

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.003 Å
• R factor = 0.029
• wR factor = 0.077
• Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found





Alert level A
PLAT900_ALERT_1_A No Matching Reflection File Found ..............          !
PLAT900_ALERT_1_A No Matching Reflection File Found ..............          !
PLAT902_ALERT_1_A No (Interpretable) Reflections found in FCF ....          !

Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H    Uiso(max)/Uiso(min) ..        6.9 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     --  C1      ..        6.1 su   

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          4      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      

   3 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

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

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