Acta Cryst. (2007). E63, i8-i10  [ doi:10.1107/S1600536806052974 ]

In_0.87K₂Mo₁₅Se₁₉: a quaternary selenide containing Mo₆ and Mo₉ clusters

D. Salloum, P. Gougeon and M. Potel

Online 15 December 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (o-Mo) = 0.001 Å
• Disorder in main residue
• R factor = 0.037
• wR factor = 0.040
• Data-to-parameter ratio = 39.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc.

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   4 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
   0 ALERT type 5 Informative message, check

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