Acta Cryst. (2004). E60, m1379-m1381  [ doi:10.1107/S1600536804020203 ]

Tris(2-ammonioethyl)aminium decafluorominium monohydrate, (H₄tren)[Al₂F₁₀]·H₂O

K. Adil, M. Leblanc and V. Maisonneuve

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.043
• wR factor = 0.123
• Data-to-parameter ratio = 20.1

checkCIF/PLATON results

No syntax errors found




Alert level C
DIFMX01_ALERT_2_C  The maximum difference density is > 0.1*ZMAX*0.75
            _refine_diff_density_max given =      1.217
            Test value =      0.975
DIFMX02_ALERT_1_C  The minimum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............       1.22 e/A   3
PLAT432_ALERT_2_C Short Inter X...Y Contact  F5     ..  C5      ..       2.91 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          1       
PLAT751_ALERT_4_C Bond    Calc     0.89524, Rep    0.895(3) ......  Senseless su    
              OW   -H1W     1.555   1.555                                       
PLAT751_ALERT_4_C Bond    Calc     0.92635, Rep    0.927(3) ......  Senseless su    
              OW   -H2W     1.555   1.555                                       
PLAT752_ALERT_4_C Angle   Calc      108.03, Rep    108.0(3) ......  Senseless su    
              H1W  -OW   -H2W     1.555   1.555   1.555                         
PLAT755_ALERT_4_C D-H     Calc     0.89524, Rep    0.895(3) ......  Senseless su    
              O1#  -H1W     1.555   1.555                                       
PLAT755_ALERT_4_C D-H     Calc     0.92635, Rep    0.927(3) ......  Senseless su    
              O1#  -H2W     1.555   1.555                                       
PLAT756_ALERT_4_C H...A   Calc     1.69233, Rep  1.6924(15) ......  Senseless su    
              H1W  -F8      1.555   1.556                                       
PLAT756_ALERT_4_C H...A   Calc     1.87122, Rep  1.8713(16) ......  Senseless su    
              H2W  -F8      1.555   2.665                                       
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       2.71 Ratio 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              Al2 F10                                                           

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  14 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
  10 ALERT type 4 Improvement, methodology, query or suggestion

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