Acta Cryst. (2004). E60, m1087-m1089  [ doi:10.1107/S1600536804016022 ]

[1,9-Bis(3,5-dimethylpyrazol-1-yl-N²)-3,7-dithianonane-²S,S']palladium(II) bis(tetrafluoroborate)

J. García-Antón, J. Pons, J. Ros, X. Solans and M. Font-Bardia

Online 9 July 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.008 Å
• Disorder in solvent or counterion
• R factor = 0.035
• wR factor = 0.060
• Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91       

Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         37 Perc. 

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           30.00
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               6465
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         7090
           Completeness (_total/calc)             91.18%
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      29.00 Perc. 
PLAT362_ALERT_2_C Short  C(sp3)-C(sp2) Bond  C11    -   C12    ...       1.36 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  F5'    ..  C4      ..       2.92 Ang.  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      31.10 Deg.  
              F5   -B2   -F5'     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      40.00 Deg.  
              F7   -B2   -F7'     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.50 Deg.  
              F6   -B2   -F6'     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      29.50 Deg.  
              F8'  -B2   -F8      1.555   1.555   1.555                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              B F4                                                              

   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  10 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
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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