(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m399-m400 [ doi:10.1107/S1600536804005471 ]

Benzimidaxolyl(triphenylphosphine)gold(I)

D. Li, T. Wu and S. W. Ng

Online 20 March 2004

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (N-C) = 0.008 Å
R factor = 0.040
wR factor = 0.108
Data-to-parameter ratio = 20.7

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.122     0.258
            Tmin and Tmax expected:      0.101     0.258
            RR =      1.210
            Please check that your absorption correction is appropriate.
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.22       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.15       
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....         24       
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         N2     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C9     

   0 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

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