Acta Cryst. (2006). E62, m2932-m2933  [ doi:10.1107/S1600536806041705 ]

catena-Poly[hexaaquazinc(II) [bis[dichlorozincate(II)]--pyridine-4-carboxylato-²N,O] dihydrate]

B. Li, L. Ye, G.-F. Hou, G.-D. Yang and L.-X. Wu

Online 18 October 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.006 Å
• R factor = 0.046
• wR factor = 0.084
• Data-to-parameter ratio = 18.3

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 .....................       0.95      
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Zn2     

Alert level G
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      0.946
            Tmax scaled      0.559 Tmin scaled      0.348
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.48
           From the CIF: _reflns_number_total               2748
           Count of symmetry unique reflns         1585
           Completeness (_total/calc)            173.38%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1163
           Fraction of Friedel pairs measured     0.734
           Are heavy atom types Z>Si present        yes
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    

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

   2 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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