Acta Cryst. (2004). E60, m1414-m1416  [ doi:10.1107/S1600536804021063 ]

Tris(tetraethylammonium) tris(-4-pyridinemethanolato)bis[tricarbonyltungsten(0)] acetonitrile trisolvate

K. K. Klausmeyer and R. A. Adrian

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 110 K
• Mean (C-C) = 0.003 Å
• R factor = 0.018
• wR factor = 0.042
• Data-to-parameter ratio = 26.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT223_ALERT_4_C Large Solvent/Anion  H     Ueq(max)/Ueq(min) ...       3.33 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     -   C1      ..       5.97 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   C2      ..       6.92 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3     -   C3      ..       6.67 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O5     -   C5      ..       5.57 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O6     -   C6      ..       5.06 su    
PLAT411_ALERT_2_C Short Inter H...H Contact  H41B   ..  H41B    ..       2.14 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H27B   ..  N1      ..       2.69 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H25A   ..  N3      ..       2.64 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 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
   6 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
   3 ALERT type 4 Improvement, methodology, query or suggestion

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