Acta Cryst. (2004). E60, m535-m537  [ doi:10.1107/S1600536804007779 ]

Poly[diaqua(₆-benzene-1,2,4,5-tetracarboxylato)(₆-2,5-dicarboxybenzene-1,4-dicarboxylato)dilanthanum(III)]

Y.-H. Wen, J. Zhang, Z.-J. Li, Y.-Y. Qin, Y. Kang, R.-F. Hu, J.-K. Cheng and Y.-G. Yao

Online 9 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.008 Å
• R factor = 0.029
• wR factor = 0.078
• Data-to-parameter ratio = 9.9

checkCIF/PLATON results

No syntax errors found




Alert level B
CELLV02_ALERT_1_B  The supplied cell volume s.u. differs from that
            calculated from the cell parameter s.u.'s by > 4
            Calculated cell volume su =       8.76
            Cell volume su given      =       3.00

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio 
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       9.93       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT213_ALERT_2_C Atom C4      has ADP max/min Ratio .............       3.50 oblate
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.54 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        La1     
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C2     -   C8     ...       1.53 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3       
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.36 Ratio 
PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............          !
PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............          !

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

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   5 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster