Acta Cryst. (2008). E64, m832  [ doi:10.1107/S1600536808014888 ]

Tetra-n-butylammonium iodido(pyrrolidine-1-carbodithioato-²S,S')(tris-tert-butoxysilanethiolato-S)cadmate(II)

A. Kropidlowska, J. Chojnacki and B. Becker

Online 21 May 2008

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.007 Å
• Disorder in main residue
• R factor = 0.039
• wR factor = 0.088
• Data-to-parameter ratio = 20.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.31      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.89 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C31     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C5     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C32     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C32A     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       4.00 Perc.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum ....          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H17A   ..  I1      ..       3.16 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H30B   ..  I1      ..       3.15 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H31B   ..  S3      ..       2.99 Ang. 

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

   2 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
   1 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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