Acta Cryst. (2004). E60, m198-m200  [ doi:10.1107/S1600536804000765 ]

A novel uranium-containing coordination polymer: poly[[aqua(benzene-1,3,5-tricarboxylato)dioxouranium(VI)] monohydrate]

L. A. Borkowski and C. L. Cahill

Online 17 January 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.012 Å
• R factor = 0.039
• wR factor = 0.071
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       HW2    ..  H8B      =       1.89 Ang.  

Alert level C
PLAT213_ALERT_2_C Atom O3      has ADP max/min Ratio .............       3.40 prolat
PLAT213_ALERT_2_C Atom O6      has ADP max/min Ratio .............       3.40 prolat
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor ....       3.01       
PLAT320_ALERT_2_C Check Hybridisation of  C2     in Main Residue .          ?     
PLAT320_ALERT_2_C Check Hybridisation of  C5     in Main Residue .          ?     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12       
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C5     -   C6       =       1.38 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2#    ..  O3       =       2.64 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3       
PLAT764_ALERT_4_C Overcomplete CIF Bond list Detected (Rep/Expd) .       1.24 Ratio 

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion

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