(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m1221 [ doi:10.1107/S1600536808027116 ]

Bis(2,6-dimethylphenyl isocyanide-C)gold(I) tetrafluoridoborate

T. P. Singa, A. G. DiPasquale, A. L. Rheingold and C. P. Kubiak

Online 6 September 2008

Key indicators

Single-crystal X-ray study
T = 208 K
Mean (C-C) = 0.012 Å
R factor = 0.061
wR factor = 0.174
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.16      
PLAT214_ALERT_2_C Atom F4      (Anion/Solvent) ADP max/min Ratio         4.30 prola
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.03 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        Au1     
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...         11      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.95      
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT221_ALERT_4_C Large Solvent/Anion  F     Ueq(max)/Ueq(min) ...       3.94 Ratio
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         B1     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety         C9     

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.946
            Tmax scaled      0.575 Tmin scaled      0.285

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check