(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1126-m1127 [ doi:10.1107/S1600536804015016 ]

fac-Bipyridyltricarbonyl(pyridine)rhenium(I) trifluoromethanesulfonate

K. Oshin, A. M. Landis, B. W. Smucker, D. M. Eichhorn and D. P. Rillema

Online 17 July 2004

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.011 Å
R factor = 0.033
wR factor = 0.074
Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing ..          ?
PLAT057_ALERT_3_A Correction for Absorption Required   RT(exp) ...       1.77       

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.505     0.612
            Tmin and Tmax expected:      0.345     0.614
            RR =      1.468
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11       
PLAT431_ALERT_2_C Short Inter HL..A Contact  F2     ..  O2      ..       2.87 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F2     ..  O1      ..       2.92 Ang.  
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........        RE1     
                    C13    N2     RE1                                           

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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