Acta Cryst. (2004). E60, m35-m37  [ doi:10.1107/S1600536803027491 ]

Hexaaquacobalt(II) trans-bis(³-pyridine-2,6-dicarboxylato-³O,N,O')cobaltate(II) dihydrate

K.-B. Shiu, C.-H. Yen, F.-L. Liao and S.-L. Wang

Online 12 December 2003

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.012 Å
• R factor = 0.094
• wR factor = 0.228
• Data-to-parameter ratio = 17.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O11    -   H11A   ...          ?       
PLAT420_ALERT_2_B D-H Without Acceptor       O12    -   H12A   ...          ?       
PLAT420_ALERT_2_B D-H Without Acceptor       O12    -   H12B   ...          ?       
PLAT420_ALERT_2_B D-H Without Acceptor       O15    -   H15A   ...          ?       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Co2     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Co3     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12       
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O10    -   H10B     =       1.01 Ang.  
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O13    -   H13A     =       1.05 Ang.  
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O14    -   H14A     =       1.01 Ang.  
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O15    -   H15A     =       1.03 Ang.  
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O15    -   H15B     =       1.04 Ang.  
PLAT737_ALERT_1_C D...A   Calc    2.849(9), Rep     2.85(2) ......       2.22 su-Rat
              O13  -O2      1.555   2.675                                       
PLAT737_ALERT_1_C D...A   Calc    2.790(8), Rep     2.79(3) ......       3.75 su-Rat
              O9   -O2      1.555   2.576                                       
PLAT737_ALERT_1_C D...A   Calc    2.690(9), Rep     2.69(3) ......       3.33 su-Rat
              O10  -O4      1.555   2.466                                       
PLAT737_ALERT_1_C D...A   Calc    2.759(8), Rep     2.76(2) ......       2.50 su-Rat
              O10  -O6      1.555   2.566                                       
PLAT737_ALERT_1_C D...A   Calc   3.157(14), Rep     3.16(4) ......       2.86 su-Rat
              O13  -O15     1.555   1.554                                       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              Co H12 O6                                                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5       
              H2 O                                                              

   0 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
  16 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
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion

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