(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, i44-i46 [ doi:10.1107/S1600536806004302 ]

Sodium peroxodisulfate

D. R. Allan

Online 8 February 2006

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (O-O) = 0.003 Å
R factor = 0.038
wR factor = 0.034
Data-to-parameter ratio = 10.5

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.670     0.950
            Tmin(prime) and Tmax expected:      0.814     0.950
            RR(prime) =      0.824
            Please check that your absorption correction is appropriate.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.82       
PLAT432_ALERT_2_C Short Inter X...Y Contact  S1     ..  O3      ..       3.07 Ang.  

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   0 ALERT type 4 Improvement, methodology, query or suggestion