Acta Cryst. (2010). E66, m342  [ doi:10.1107/S1600536810006872 ]

catena-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato-O¹)nickel(II)]-di--aqua-[diaquasodium]-di--aqua] tetrahydrate]

Z.-D. Tan and B. Yi

Online 27 February 2010

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.006 Å
• R factor = 0.052
• wR factor = 0.172
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.03 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  O4W     ..       5.06 su   
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         58      

Alert level G
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large..       0.16      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         33      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        600 Deg. 
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.24 Ratio

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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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