Acta Cryst. (2008). E64, m1326  [ doi:10.1107/S160053680803033X ]

Poly[tris(₃-5-aminoisophthalato)diaquadicerium(III)]

H.-J. Ma, Y.-H. Fan, Q. Wang, C.-F. Bi and D.-M. Zhang

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.019
• wR factor = 0.046
• Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.12 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce1    --  O4      ..       8.00 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce1    --  O6      ..       6.09 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce1    --  O4_f    ..       6.83 su   
PLAT245_ALERT_2_C U(iso) H1A     Smaller than U(eq) O1W     by ...       0.01 AngSq
PLAT245_ALERT_2_C U(iso) H1B     Smaller than U(eq) O1W     by ...       0.01 AngSq
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1C    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2A    ...          ?      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.92      
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A    ..  O5      ..       2.63 Ang. 
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.31 Ratio

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.920
            Tmax scaled      0.501 Tmin scaled      0.474
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 ALERT level C = Check and explain
   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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