(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i67-i69 [ doi:10.1107/S1600536807005302 ]

Redetermination of iron(III) arsenate dihydrate

Y. Xu, G.-P. Zhou and X.-F. Zheng

Online 7 February 2007

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (e-O) = 0.003 Å
R factor = 0.024
wR factor = 0.059
Data-to-parameter ratio = 10.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.94      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4      

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      0.936
            Tmax scaled      0.293 Tmin scaled      0.243
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

   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

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