(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m1222 [ doi:10.1107/S1600536808027530 ]

Bis[4-(dimethylamino)pyridinium] tetrabromidodiphenylplumbate(IV)

K. M. Lo and S. W. Ng

Online 6 September 2008

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.006 Å
R factor = 0.029
wR factor = 0.075
Data-to-parameter ratio = 20.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Pb1    --  Br1     ..      30.52 su   

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb1    --  Br2     ..       5.26 su   
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.92      
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........    H2<I>N<     

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      0.921
            Tmax scaled      0.505 Tmin scaled      0.226

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

   2 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
   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