Acta Cryst. (2010). E66, m30-m31  [ doi:10.1107/S1600536809052088 ]

Bis{[-bis(diphenylphosphino)methane-1:2²P:P']nonacarbonyl-1³C,2³C,3³C-[tris(4-methoxyphenyl)arsine-3As]-triangulo-triruthenium(0)} dichloromethane solvate

O. bin Shawkataly, I. A. Khan, C. S. Yeap and H.-K. Fun

Online 9 December 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• Disorder in solvent or counterion
• R factor = 0.023
• wR factor = 0.055
• Data-to-parameter ratio = 34.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O8     --  C51     ..       5.47 su   
PLAT410_ALERT_2_C Short Intra H...H Contact  H12A   ..  H13A    ..       1.93 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.52 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.53 eA-3 
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....         20 Ang. 
PLAT732_ALERT_1_C Angle   Calc    59.15(1), Rep       59.15 ......       3.33 su-Ra
              RU2  -RU1  -RU3     1.555   1.555   1.555                        
PLAT732_ALERT_1_C Angle   Calc    61.40(1), Rep       61.40 ......       3.33 su-Ra
              RU3  -RU2  -RU1     1.555   1.555   1.555                        
PLAT732_ALERT_1_C Angle   Calc    59.46(1), Rep       59.45 ......       3.33 su-Ra
              RU2  -RU3  -RU1     1.555   1.555   1.555                        
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        115      

Alert level G
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ..           2      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ...................      25.00 Perc.

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

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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