Acta Cryst. (2006). E62, i83-i85  [ doi:10.1107/S1600536806007446 ]

Ho_0.76In_1.68Mo₁₅Se₁₉

D. Salloum, P. Gougeon and M. Potel

Online 8 March 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (o-Mo) = 0.001 Å
• Disorder in main residue
• R factor = 0.040
• wR factor = 0.088
• Data-to-parameter ratio = 36.9

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 
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc. 
PLAT702_ALERT_1_C Angle   Calc   123.47(1), Rep   123.49(1), Dev..       1.70 Sigma 
              SE5  -IN   -SE3     1.555   1.555   7.666                         
PLAT702_ALERT_1_C Angle   Calc   153.63(2), Rep   153.61(1), Dev..       1.10 Sigma 
              SE2  -IN   -MO2     9.666   1.555   7.656                         
PLAT702_ALERT_1_C Angle   Calc    94.28(1), Rep    94.27(1), Dev..       1.40 Sigma 
              SE1  -IN   -MO2     7.656   1.555   7.656                         
PLAT702_ALERT_1_C Angle   Calc   119.97(1), Rep      119.96, Dev..       1.30 Sigma 
              MO2  -IN   -MO2     9.666   1.555   7.656                         

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

   9 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

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