(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, m1057 [ doi:10.1107/S1600536809030724 ]

trans-Dioxidotetrapyridinerhenium(V) triiodide

M. Siczek, M. S. Krawczyk and T. Lis

Online 12 August 2009

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.004 Å
R factor = 0.019
wR factor = 0.031
Data-to-parameter ratio = 30.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        300 Ang. 

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.411     0.656
            Tmin(prime) and Tmax expected:      0.420     0.557
            RR(prime) =      0.830
            Please check that your absorption correction is appropriate.
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)       4000 Deg. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   2 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check