(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2008). E64, i16 [ doi:10.1107/S1600536808003267 ]

-Lead tellurite from single-crystal data

V. E. Zavodnik, S. A. Ivanov and A. I. Stash

Online 6 February 2008

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (Pb-O) = 0.009 Å
R factor = 0.027
wR factor = 0.064
Data-to-parameter ratio = 26.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT213_ALERT_2_B Atom O6      has ADP max/min Ratio .............       5.00 oblat

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.234     0.695
            Tmin and Tmax expected:      0.080     0.324
            RR =      1.361
            Please check that your absorption correction is appropriate.
GOODF01_ALERT_2_C  The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.772
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 ............       0.33 Ratio
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.30      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.47      
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT213_ALERT_2_C Atom O3      has ADP max/min Ratio .............       3.60 oblat

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      0.467
            Tmax scaled      0.324 Tmin scaled      0.109
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   5 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check