Acta Cryst. (2010). E66, i56  [ doi:10.1107/S1600536810026541 ]

Tl₂Mo₉Se₁₁

P. Gougeon, P. Gall and M. Potel

Online 10 July 2010

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Mo-Se) = 0.001 Å
• R factor = 0.043
• wR factor = 0.092
• Data-to-parameter ratio = 59.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Tl2    --  Se5     ..      44.67 su   
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   TL1    --  SE2     ..       4.35 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   TL1    --  SE2     ..       4.35 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   TL1    --  SE2     ..       4.35 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   TL2    --  SE3     ..       4.24 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   TL2    --  SE3     ..       4.24 Ang. 
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   TL2    --  SE3     ..       4.24 Ang. 

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  Se4     ..       8.83 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  Se1_k   ..       5.17 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    --  Se3     ..       9.80 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    --  Se5     ..       5.09 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo3    --  Se3     ..       7.26 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo3    --  Se3_g   ..       7.87 su   
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   TL1    --  TL2     ..       3.52 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   TL1    --  SE3     ..       3.58 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   TL1    --  SE3     ..       3.58 Ang. 
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   TL1    --  SE3     ..       3.58 Ang. 
PLAT921_ALERT_1_C R1  * 100.0 in the CIF and FCF Differ by .......       0.41      

Alert level G
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ..           1      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT931_ALERT_5_G Check Twin Law ( 2-1  0)[       ] Estimated BASF       0.07      

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

  13 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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