Acta Cryst. (2011). E67, m1473-m1474  [ doi:10.1107/S1600536811039080 ]

Poly[[diaquabis(2,2'-bipyridine-²N,N')(₃-5-hydroxyisophthalato-⁵O¹,O^1':O³,O^3':O^3')(₃-5-hydroxyisophthalato-⁴O¹,O^1':O³:O^3')(₂-5-hydroxyisophthalato-³O¹,O^1':O³)didysprosium(III)] dihydrate]

Y.-L. Zhang

Online 30 September 2011

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.010 Å
• R factor = 0.035
• wR factor = 0.094
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O2W    -   H2WA   ...          ?      
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.72 eA-3 

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.12      
PLAT213_ALERT_2_C Atom O5              has ADP max/min Ratio .....        3.1 prola
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        3.6 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H    Uiso(max)/Uiso(min) ..        4.3 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     --  C34     ..        5.5 su   
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0098 Ang  
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .         79 A   3 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.599        152      

Alert level G
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....         44      
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          1      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.       9.63      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00100 Deg. 
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Dy1    --  O3      ..       15.5 su   
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          8      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......        252      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          79 Perc.

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

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

Copyright © International Union of Crystallography
IUCr Webmaster