(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2005). E61, i153-i154 [ doi:10.1107/S1600536805019914 ]

Scandium(III) oxide bromide, ScOBr

L. Jongen and G. Meyer

Online 9 July 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (c-O) = 0.002 Å
R factor = 0.018
wR factor = 0.042
Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.058     0.160
            Tmin and Tmax expected:      0.116     0.387
            RR =      1.198
            Please check that your absorption correction is appropriate.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   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