Acta Cryst. (2013). E69, m52
[ doi:10.1107/S160053681205026X ]

Poly[[tetraaquadi-₄-fumarato-₂-oxalato-dierbium(III)] tetrahydrate]

Q.-F. Yang, X.-Z. Wang and P. Xue

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.006 Å
• R factor = 0.018
• wR factor = 0.045
• Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....          1      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      3.504      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT975_ALERT_2_C Positive Residual Density at 0.85A from O4     .       0.48 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 1.00A from O4     .      -0.69 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 0.52A from O5     .      -0.61 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 0.84A from O5     .      -0.55 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 0.62A from O5     .      -0.55 eA-3 

Alert level G
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          3      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          4      
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      60.26      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Er1    --  O4      ..        6.1 su   
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.14 Ratio

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

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   3 ALERT type 5 Informative message, check

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