Acta Cryst. (2006). E62, m571-m573  [ doi:10.1107/S1600536806005496 ]

trans-Bis(acetylacetonato-²O,O')mesityl(tetrahydrofuran-O)vanadium(III)

W. Imhof and W. Seidel

Online 22 February 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.046
• wR factor = 0.132
• Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.05       
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.67 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C22     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C23     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc. 
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      30.30 Deg.  
              C22  -C21  -C22X    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      29.00 Deg.  
              H21B -C21  -H21C    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      29.30 Deg.  
              H21A -C21  -H21D    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      31.20 Deg.  
              C22X -C23  -C22     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      29.00 Deg.  
              H23A -C23  -H23C    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      31.40 Deg.  
              H23B -C23  -H23D    1.555   1.555   1.555                         

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   9 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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