Acta Cryst. (2007). E63, m2350  [ doi:10.1107/S1600536807036598 ]

Poly[sodium [₄-2-hydroxyphosphonoacetato(3-)]iron(II)]

J. Li, Y.-Y. Zhu, C.-Y. Huang, Z.-G. Sun and D.-P. Dong

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.003 Å
• R factor = 0.022
• wR factor = 0.056
• Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98      
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       2.00 Ratio
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      43.24 Deg. 
              O1   -P1   -NA1     1.555   1.555   1.555                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      43.78 Deg. 
              O2   -P1   -NA1     1.555   1.555   4.466                        

Alert level G
PLAT793_ALERT_1_G Check the Absolute Configuration of P1     = ...          R      
PLAT793_ALERT_1_G Check the Absolute Configuration of C1     = ...          R      
PLAT794_ALERT_5_G Check Predicted Bond Valency for Fe1         (2)       2.01      

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

   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
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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