Acta Cryst. (2004). E60, m1346-m1348  [ doi:10.1107/S1600536804020793 ]

Tetrakis(-N-acetyl-N-phenylglycinato)bis[(N-acetyl-N-phenylglycinato)(1,10-phenanthroline-²N,N')lanthanum(III)] dihydrate

A.-Y. Fu, D.-Q. Wang and Q.-J. Shen

Online 31 August 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.006 Å
• R factor = 0.025
• wR factor = 0.070
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.56 Ratio 
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  La1    -   O1      ..      10.11 su    

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.28 Ratio 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O2      ..       5.31 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O7      ..       8.16 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O8      ..       6.85 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   N4      ..       5.78 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La1    -   O1_a    ..       5.59 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O8     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C22     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C29     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C25     
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C14     
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C24     
PLAT731_ALERT_1_C Bond    Calc     0.92(4), Rep   0.912(10) ......       4.00 su-Rat
              O10  -H1      1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.91(3), Rep   0.910(10) ......       3.00 su-Rat
              O10  -H2      1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.92(4), Rep   0.912(10) ......       4.00 su-Rat
              O10  -H1      1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.91(3), Rep   0.910(10) ......       3.00 su-Rat
              O10  -H2      1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.95(4), Rep   1.960(14) ......       2.86 su-Rat
              H1   -O3      1.555   1.454                                       
PLAT736_ALERT_1_C H...A   Calc     1.93(3), Rep   1.927(12) ......       2.50 su-Rat
              H2   -O9      1.555   1.455                                       

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

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  12 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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