(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i142 [ doi:10.1107/S1600536807023355 ]

Sodium tungstate dihydrate: a redetermination

L. J. Farrugia

Online 26 May 2007

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (W-O) = 0.003 Å
R factor = 0.021
wR factor = 0.053
Data-to-parameter ratio = 18.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H51    ..  O3      ..       2.70 Ang. 

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
            Tmin and Tmax reported:      0.021     0.147
            Tmin and Tmax expected:      0.003     0.131
            RR =      6.378
            Please check that your absorption correction is appropriate.
PLAT794_ALERT_5_G Check Predicted Bond Valency for W1          (6)       5.86      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4      

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check