Acta Cryst. (2009). E65, m1232  [ doi:10.1107/S1600536809037155 ]

Disodium (2RS,3SR)-tartrate

W. Arbuckle, S. Cartner, A. R. Kennedy and C. A. Morrison

Online 19 September 2009

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean (C-C) = 0.002 Å
• R factor = 0.028
• wR factor = 0.072
• Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.67 Ratio
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   NA1    --  NA1     ..       3.58 Ang. 

Alert level G
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        111     
            O6  -C3  -C4  -NA1    80.50  0.60   1.555   1.555   1.555   2.655  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        112     
            C2  -C3  -C4  -NA1  -159.20  0.50   1.555   1.555   1.555   2.655  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        115     
            O3  -NA2 -C4  -O4     57.90  0.20   5.655   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        124     
            O3  -NA2 -C4  -O5    119.70  0.20   5.655   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        133     
            O3  -NA2 -C4  -C3    -99.70  0.20   5.655   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        142     
            O3  -NA2 -C4  -NA1    87.10  0.20   5.655   1.555   1.555   2.655  
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.81 Ratio
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      41.28 Deg. 
              O4   -C4   -NA2     1.555   1.555   1.555                        
PLAT793_ALERT_4_G The Model has Chirality at C2      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
  10 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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