Acta Cryst. (2008). E64, m984-m985  [ doi:10.1107/S1600536808019296 ]

Tris(ethanol-O)tris(picrato-²O¹,O²)lanthanum(III) tri-2-pyridylamine solvate

E. J. Chan

Online 5 July 2008

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.005 Å
• Disorder in main residue
• R factor = 0.043
• wR factor = 0.087
• Data-to-parameter ratio = 20.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT213_ALERT_2_B Atom O141    has ADP max/min Ratio .............       4.10 prola
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O141   --  N14     ..      11.18 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N14    --  C14     ..       8.20 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O442   --  N44     ..       8.29 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N46    --  C46     ..       7.81 su   
PLAT430_ALERT_2_B Short Inter D...A Contact  O322   ..  N64     ..       2.86 Ang. 
PLAT432_ALERT_2_B Short Inter X...Y Contact  O362   ..  C034    ..       2.78 Ang. 

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.79      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.39 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.21 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.84 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.75 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.28 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.17 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O61    --  C61     ..       5.49 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O441   --  N44     ..       5.01 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N52    --  C52     ..       5.90 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    --  O321    ..       5.15 su   
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels ..........         63      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......        104      

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

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

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