Acta Cryst. (2004). E60, o107-o108  [ doi:10.1107/S1600536803025455 ]

Dimethyl(2-trimethylsilylethyl)[(2-trimethylsilylethyl)dimethylammonio]ammonium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate at 130  K

K. Hassall and J. White

Online 19 December 2003

Key indicators

• Single-crystal X-ray study
• T = 130 K
• Mean (C-C) = 0.003 Å
• R factor = 0.046
• wR factor = 0.126
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    F     Ueq(max)/Ueq(min) ...       7.56 Ratio 

PLAT242_ALERT_2_A Check Low    U(eq) as Compared to Neighbors ....        C15     

PLAT353_ALERT_3_A Long    N-H Bond (0.87A)   N      -   H        =       1.35 Ang.  

PLAT771_ALERT_2_A Suspect N-H Bond in CIF    N      -   H        =       1.35 Ang.  

Alert level B
PLAT213_ALERT_2_B Atom F8'     has ADP max/min Ratio .............       4.60 prolat
PLAT301_ALERT_3_B Main Residue  Disorder .........................      27.00 Perc. 

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.776     0.970
            Tmin' and Tmax expected:      0.946     0.973
            RR' =      0.823
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.82       
PLAT213_ALERT_2_C Atom F1      has ADP max/min Ratio .............       3.10 prolat
PLAT213_ALERT_2_C Atom F8      has ADP max/min Ratio .............       3.20 prolat
PLAT213_ALERT_2_C Atom F9      has ADP max/min Ratio .............       3.50 prolat
PLAT213_ALERT_2_C Atom F7'     has ADP max/min Ratio .............       3.90 prolat
PLAT213_ALERT_2_C Atom F9'     has ADP max/min Ratio .............       3.10 prolat
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C7     

PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C8     

PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C16     

PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Si1     

PLAT420_ALERT_2_C D-H Without Acceptor       N      -   H      ...          ?       
PLAT432_ALERT_2_C Short Inter X...Y Contact  C5     ..  F6'      =       2.88 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C22    ..  F4'      =       2.96 Ang.  
PLAT751_ALERT_4_C Bond    Calc     1.34739, Rep  1.3474(19) ......  Senseless su    
              N    -H       1.555   1.555                                       
PLAT752_ALERT_4_C Angle   Calc      105.24, Rep  105.24(16) ......  Senseless su    
              C20  -N    -H       1.555   1.555   1.555                         
PLAT752_ALERT_4_C Angle   Calc      106.82, Rep  106.82(17) ......  Senseless su    
              C19  -N    -H       1.555   1.555   1.555                         
PLAT752_ALERT_4_C Angle   Calc      109.92, Rep  109.93(15) ......  Senseless su    
              C18  -N    -H       1.555   1.555   1.555                         

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  16 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion

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