Acta Cryst. (2010). E66, m1489  [ doi:10.1107/S1600536810043643 ]

Bis[-2-(4-hydroxyphenyl)acetato]-³O,O':O;³O:O,O'-bis{aqua(4,4'-bipyridine-N)bis[2-(4-hydroxyphenyl)acetato-²O,O']ytterbium(III)} monohydrate

J.-L. Liu, J.-F. Liu and G.-L. Zhao

Online 31 October 2010

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.007 Å
• R factor = 0.025
• wR factor = 0.070
• Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Yb1    --  O10     ..      16.37 su   
PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ...          2      
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .          3      

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     --  C58     ..       5.63 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Yb1    --  O11     ..       8.15 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Yb2    --  O7      ..       5.12 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Yb2    --  O16     ..       5.68 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O7     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O10     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O14     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C7     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C39     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C36     
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C33    -C38           1.37 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         42      
PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc)          1      
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference N4     --  C64     ..       0.16 Ang. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          9      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          6      
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Yb1     .......       2.89      
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Yb2     .......       2.87      

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

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

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