Acta Cryst. (2004). E60, m1372-m1373  [ doi:10.1107/S1600536804021567 ]

Bis(ethylenediammonium) tris(pyridine-2,6-dicarboxylato-³O,O',N)cadmium(II) hexahydrate

A.-Y. Fu, D.-Q. Wang and A.-Z. Liu

Online 4 September 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.028
• wR factor = 0.067
• Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          9       
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.15 Ratio 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   O1      ..       5.75 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    -   O5      ..       5.43 su    
PLAT731_ALERT_1_C Bond    Calc     0.87(3), Rep   0.867(10) ......       3.00 su-Rat
              O7   -H17     1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.88(3), Rep   0.876(10) ......       3.00 su-Rat
              O8   -H19     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.87(3), Rep   0.867(10) ......       3.00 su-Rat
              O7   -H17     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.88(3), Rep   0.876(10) ......       3.00 su-Rat
              O8   -H19     1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.81(3), Rep   1.804(13) ......       2.31 su-Rat
              H19  -O3      1.555   3.655                                       

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

   6 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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