Acta Cryst. (2005). E61, o1528-o1530  [ doi:10.1107/S1600536805021239 ]

Di--aqua-bis({N-[(2-dimethylamino-N)ethyl]-N,N',N'-trimethylethane-1,2-diamine-²N,N'}sodium(I)) diiodide

E. Jeanneau, S. Mishra and L. G. Hubert-Pfalzgraf

Online 13 July 2005

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.11       
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...         12       
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11       
PLAT410_ALERT_2_C Short Intra H...H Contact  H52    ..  H52     ..       1.97 Ang.  
PLAT731_ALERT_1_C Bond    Calc     0.82(5), Rep   0.820(14) ......       3.57 su-Rat
              O2   -H7      1.555   6.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.82(5), Rep   0.820(14) ......       3.57 su-Rat
              O2   -H7      1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.98(4), Rep   0.977(19) ......       2.11 su-Rat
              C5   -H51     1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.96(4), Rep   0.960(19) ......       2.11 su-Rat
              C8   -H83     1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.96(5), Rep   0.961(19) ......       2.63 su-Rat
              C9   -H91     1.555   1.555                                       
PLAT732_ALERT_1_C Angle   Calc      108(4), Rep   108.6(17) ......       2.35 su-Rat
              H81  -C8   -H82     1.555   1.555   1.555                         
PLAT732_ALERT_1_C Angle   Calc      110(4), Rep   109.3(17) ......       2.35 su-Rat
              H81  -C8   -H83     1.555   1.555   1.555                         
PLAT732_ALERT_1_C Angle   Calc      109(4), Rep   109.1(17) ......       2.35 su-Rat
              H91  -C9   -H93     1.555   1.555   1.555                         

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

  10 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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