Acta Cryst. (2011). E67, m700  [ doi:10.1107/S1600536811014395 ]

LiYbCl₄(THF)₄

L. Richtera, V. Jancik, S. Hermanova, K. Krpoun and K. Thompson-Montero

Online 7 May 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.006 Å
• Disorder in main residue
• R factor = 0.023
• wR factor = 0.050
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         61      
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.95 eA-3 

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         27      
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....         20      
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      33.14      
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................         38 Perc.
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          8      
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......        388      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          91 Perc.

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

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

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