(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i192 [ doi:10.1107/S160053680705475X ]

The high-temperature modification of iron(II) sulfate

M. Weil

Online 9 November 2007

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (S-O) = 0.001 Å
R factor = 0.016
wR factor = 0.044
Data-to-parameter ratio = 26.3

checkCIF/PLATON results

No syntax errors found




Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 1.50
            Tmin and Tmax reported:      0.207     0.735
            Tmin and Tmax expected:      0.066     0.430
            RR =      1.840
            Please check that your absorption correction is appropriate.
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT794_ALERT_5_G Check Predicted Bond Valency for Fe          (2)       2.04      

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

   2 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
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check