Acta Cryst. (2012). E68, m1537
[ doi:10.1107/S1600536812045072 ]

Tetrakis(triphenylarsane-As)silver(I) trifluoroacetate hemihydrate methanol hemisolvate

S. W. Ng

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.009 Å
• Disorder in main residue
• R factor = 0.048
• wR factor = 0.111
• Data-to-parameter ratio = 17.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT924_ALERT_1_A The Reported and Calculated Rho(min) Differ by .       3.76 eA-3 

PLAT927_ALERT_1_A Reported and Calculated  wR2 Differ by .........    -0.0978      

PLAT972_ALERT_2_A Large Calcd. Non-Metal Negative Residual Density      -4.18 eA-3 

PLAT972_ALERT_2_A Large Calcd. Non-Metal Negative Residual Density      -3.55 eA-3 

PLAT974_ALERT_2_A Large Calcd. Negative Residual Density on    Ag1      -4.32 eA-3 

Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        4.1 Ratio
PLAT926_ALERT_1_B Reported and Calculated   R1 Differ by .........    -0.0457      
PLAT928_ALERT_1_B Reported and Calculated    S value   Differ by .     -0.870      
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.78 eA-3 
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.65 eA-3 
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.53 eA-3 
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.87 eA-3 

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C41     
PLAT331_ALERT_2_C Small Average Phenyl   C-C Dist. C61    -C66           1.37 Ang. 
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0087 Ang  
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -0.057      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         83      
PLAT925_ALERT_1_C The Reported and Calculated Rho(max) Differ by .       1.70 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.48 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.15 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.14 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.07 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.71 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.65 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.39 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.71 eA-3 

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         22      
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....         29      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in CIF ...          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          3      
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.       7.55      
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Ag1    --  As2     ..        7.3 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Ag1    --  As3     ..        6.5 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Ag1    --  As4     ..        6.8 su   
PLAT244_ALERT_4_G Low   'Solvent' Ueq as Compared to Neighbors of         C74     
PLAT244_ALERT_4_G Low   'Solvent' Ueq as Compared to Neighbors of        C73'     
PLAT244_ALERT_4_G Low   'Solvent' Ueq as Compared to Neighbors of        C74'     
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................         16 Perc.
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ...................        100 Perc.
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          3      
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......        197      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        170      

   5 ALERT level A = Most likely a serious problem - resolve or explain
   7 ALERT level B = A potentially serious problem, consider carefully
  14 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  19 ALERT level G = General information/check it is not something unexpected

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

Copyright © International Union of Crystallography
IUCr Webmaster