(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2009). E65, i76-i77 [ doi:10.1107/S1600536809041105 ]

Europium-doped barium bromide iodide

G. Gundiah, S. M. Hanrahan, F. J. Hollander and E. D. Bourret-Courchesne

Online 17 October 2009

Key indicators

Single-crystal X-ray study
T = 153 K
Mean () = 0.000 Å
Disorder in main residue
R factor = 0.015
wR factor = 0.033
Data-to-parameter ratio = 20.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   I1     --  BA1     ..       3.63 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   I1     --  BA1     ..       3.64 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   I1     --  BA1     ..       3.64 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   I1     --  BA1     ..       3.71 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   I1     --  BA1     ..       3.71 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   BA1    --  I1      ..       3.64 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   BA1    --  I1      ..       3.64 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   BA1    --  I1      ..       3.71 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   BA1    --  I1      ..       3.71 Ang. 

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................       4.00 Perc.
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !

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

  12 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check