Acta Cryst. (2011). E67, m717  [ doi:10.1107/S160053681101676X ]

Diaquabis(5-carboxy-2-ethyl-1H-imidazole-5-carboxylato-²N³,O⁴)zinc trihydrate

G. Zhang

Online 7 May 2011

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.006 Å
• Disorder in solvent or counterion
• R factor = 0.041
• wR factor = 0.119
• Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT417_ALERT_2_C Short Inter D-H..H-D       H2     ..  H6F     ..       2.14 Ang. 
PLAT417_ALERT_2_C Short Inter D-H..H-D       H6F    ..  H7F     ..       2.12 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.594         34      

Alert level G
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ...................         33 Perc.
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            N1  -ZN1 -N1  -C5      6.00  0.00   2.666   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6     
            N1  -ZN1 -N1  -C2     13.00  0.00   2.666   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         15     
            O1  -ZN1 -O1  -C1     17.00  0.00   2.666   1.555   1.555   1.555  
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          71 Perc.

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

   0 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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