(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]
Acta Cryst. (2004). E60, m364-m366 [ doi:10.1107/S1600536804005082 ]
catena-Poly[[bromatosilver(I)--4,4'-bipyridine] 2.5-hydrate]

C.-X. Ren, L. Cheng, X.-M. Chen and S. W. Ng

Online 13 March 2004
Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R factor = 0.030
wR factor = 0.084
Data-to-parameter ratio = 15.6
checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....        Br1     
PLAT417_ALERT_2_B Short Inter D-H..H-D       H2W1   ..  H2W1    ..       1.83 Ang.  
PLAT731_ALERT_1_B Bond    Calc     0.86(5), Rep   0.864(10) ......       5.00 su-Rat
              O1W  -H1W2    1.555   1.555                                       
PLAT731_ALERT_1_B Bond    Calc     0.87(5), Rep   0.870(10) ......       5.00 su-Rat
              O2W  -H2W1    1.555   1.555                                       
PLAT731_ALERT_1_B Bond    Calc     0.86(5), Rep   0.864(10) ......       5.00 su-Rat
              O2W  -H2W2    1.555   1.555                                       
PLAT735_ALERT_1_B D-H     Calc     0.86(5), Rep   0.860(10) ......       5.00 su-Rat
              O1W  -H2#     1.555   1.555                                       
PLAT735_ALERT_1_B D-H     Calc     0.87(5), Rep   0.870(10) ......       5.00 su-Rat
              O2W  -H3#     1.555   1.555                                       
PLAT735_ALERT_1_B D-H     Calc     0.86(5), Rep   0.860(10) ......       5.00 su-Rat
              O2W  -H4#     1.555   1.555                                       

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.201     0.416
            Tmin' and Tmax expected:      0.185     0.345
            RR' =      0.900
            Please check that your absorption correction is appropriate.
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 ............       0.50 Ratio 
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.83       
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.83       
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.11       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6       
PLAT731_ALERT_1_C Bond    Calc     0.86(4), Rep   0.862(10) ......       4.00 su-Rat
              O1W  -H1W1    1.555   1.555                                       
PLAT732_ALERT_1_C Angle   Calc      107(4), Rep   107.1(17) ......       2.35 su-Rat
              H1W1 -O1W  -H1W2    1.555   1.555   1.555                         
PLAT732_ALERT_1_C Angle   Calc      106(5), Rep   105.7(17) ......       2.94 su-Rat
              H2W1 -O2W  -H2W2    1.555   1.555   1.555                         
PLAT735_ALERT_1_C D-H     Calc     0.86(4), Rep   0.860(10) ......       4.00 su-Rat
              O1W  -H1#     1.555   1.555                                       
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.22 Ratio 

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:   C10 H13 Ag1 Br1 N2 O5.5
            Atom count from _chemical_formula_moiety:C10 H13 Ag1 Br1 N2 O32.5
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      0.830
            Tmax scaled      0.345 Tmin scaled      0.167

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

  14 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion