Acta Cryst. (2006). E62, m2878-m2880  [ doi:10.1107/S1600536806040487 ]

Tris(O,O'-dicyclohexyl dithiophosphato-²S,S')bismuth(III) chloroform disolvate

S. T. C. Eey, C. S. Lai and E. R. T. Tiekink

Online 13 October 2006

Key indicators

• Single-crystal X-ray study
• T = 223 K
• Mean (C-C) = 0.009 Å
• Disorder in solvent or counterion
• R factor = 0.049
• wR factor = 0.103
• Data-to-parameter ratio = 23.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT480_ALERT_4_B Long H...A H-Bond Reported H38    ..  O2      ..       2.99 Ang. 

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.89      
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.23      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.87 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C3     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C15     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C33     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C4     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       Cl4A     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       Cl6A     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C38     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C38A     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C37     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      33.00 Perc.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6B    ..  CL4     ..       2.97 Ang. 
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      38.20 Deg. 
              C38A -CL4A -CL6A    1.555   1.555   1.555                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      40.50 Deg. 
              C38A -CL6A -CL4A    1.555   1.555   1.555                        
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              C H Cl3                                                          
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              C H Cl3                                                          

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.892
            Tmax scaled      0.892 Tmin scaled      0.477

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
  11 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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