Acta Cryst. (2010). E66, m1431-m1432  [ doi:10.1107/S1600536810041139 ]

catena-Poly[[[tetraaqua(3,5-dinitro-4-oxidopyridine N-oxide-O¹)neodymium(III)]--oxalato-⁴O¹,O²:O^1',O^2'] tetrahydrate]

Y.-F. Han and S. W. Ng

Online 23 October 2010

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.019
• wR factor = 0.050
• Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       4.72 Ratio
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         N3     

Alert level C
PLAT213_ALERT_2_C Atom O5              has ADP max/min Ratio .....       3.80 prola
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd1    --  O1      ..       6.35 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd1    --  O2W     ..       5.15 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd1    --  O3W     ..       7.18 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd1    --  O4W     ..       5.49 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd1    --  O7      ..       5.12 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd1    --  O9      ..       7.01 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Nd1    --  O10_b   ..       5.18 su   
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.21      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         18      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         59      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  11 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 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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