Acta Cryst. (2006). E62, m2789-m2790  [ doi:10.1107/S1600536806039705 ]

Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-²N,O)zinc(II)-4,4'-bipyridine (1/1)

R.-Q. Zhong, R.-Q. Zou and Q. Xu

Online 4 October 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.002 Å
• R factor = 0.025
• wR factor = 0.066
• Data-to-parameter ratio = 11.9

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 .....................       0.82      
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn1    -   N1      ..       5.43 su   
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2      

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C20 H18 N6 O10 Zn1
            Atom count from _chemical_formula_moiety:C30 H26 N8 O10 Zn1
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.824
            Tmax scaled      0.824 Tmin scaled      0.814
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

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

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