Acta Cryst. (2004). E60, m1716-m1718  [ doi:10.1107/S1600536804026765 ]

catena-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-₄-1,2,4,5-benzenetetracarboxylato]

Y.-L. Fu, J.-L. Ren and S. W. Ng

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.013 Å
• R factor = 0.074
• wR factor = 0.195
• Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found



Alert level A
ABSTM02_ALERT_3_A  The ratio of expected to reported Tmax/Tmin(RR') is < 0.50
            Tmin and Tmax reported:      0.157     0.933
            Tmin' and Tmax expected:      0.694     0.932
            RR' =      0.226
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_A Tmax/Tmin Range Test RR' too Large .............       0.22       

Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.02 Ratio 

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio 
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.99       
PLAT128_ALERT_4_C Non-standard setting of Space group P21/c   ....    P21/a         
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.60 Ratio 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         13       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         63     
            O1W -CO1 -N1  -C2    120.90  1.20   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         68     
            O1W -CO1 -N1  -C1    -59.20  1.40   1.555   1.555   1.555   1.555   
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT731_ALERT_1_C Bond    Calc     0.85(4), Rep   0.850(10) ......       4.00 su-Rat
              O1W  -H1W1    1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.84(3), Rep   0.850(10) ......       3.00 su-Rat
              O1W  -H1W2    1.555   1.555                                       
PLAT732_ALERT_1_C Angle   Calc      110(6), Rep      110(2) ......       3.00 su-Rat
              H1W1 -O1W  -H1W2    1.555   1.555   1.555                         
PLAT735_ALERT_1_C D-H     Calc     0.85(4), Rep   0.850(10) ......       4.00 su-Rat
              O1W  -H1#     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.84(3), Rep   0.850(10) ......       3.00 su-Rat
              O1W  -H2#     1.555   1.555                                       

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:   C34 H22 Co2 N4 O10
            Atom count from _chemical_formula_moiety:

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

   9 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
   4 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion

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