Acta Cryst. (2002). E58, m730-m732  [ doi:10.1107/S1600536802020573 ]

catena-Poly[[[diaquacadmium(II)]-di--4,4'-trimethylenedipyridine-²N:N'] dinitrate 4,4'-trimethylenedipyridine monohydrate]

F. A. Almeida Paz, A. D. Bond, Y. Z. Khimyak and J. Klinowski

Online 22 November 2002

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean (C-C) = 0.006 Å
• R factor = 0.025
• wR factor = 0.066
• Data-to-parameter ratio = 12.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_161  Alert C Missing or Zero su (esd) on x-coordinate for .       CD1

PLAT_162  Alert C Missing or Zero su (esd) on y-coordinate for .       CD1

PLAT_163  Alert C Missing or Zero su (esd) on z-coordinate for .       CD1

PLAT_731  Alert C Bond    Calc     0.85(3), Rep   0.850(10) ....       3.00 su-Ratio
                     O11  -H11A    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.85(4), Rep   0.850(10) ....       4.00 su-Ratio
                     O11  -H11B    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.85(3), Rep   0.850(10) ....       3.00 su-Ratio
                     O12  -H12A    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.85(3), Rep   0.850(10) ....       3.00 su-Ratio
                     O12  -H12B    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.88(4), Rep   0.880(10) ....       4.00 su-Ratio
                     O7W  -H7A     1.555   1.555

PLAT_731  Alert C Bond    Calc     0.87(3), Rep   0.880(10) ....       3.00 su-Ratio
                     O7W  -H7B     1.555   1.555

PLAT_735  Alert C D-H     Calc     0.88(4), Rep   0.880(10) ....       4.00 su-Ratio
                     O7W  -H7A     1.555   1.555

PLAT_735  Alert C D-H     Calc     0.87(3), Rep   0.880(10) ....       3.00 su-Ratio
                     O7W  -H7B     1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(4), Rep   0.850(10) ....       4.00 su-Ratio
                     O11  -H11B    1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(3), Rep   0.850(10) ....       3.00 su-Ratio
                     O12  -H12A    1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(3), Rep   0.850(10) ....       3.00 su-Ratio
                     O12  -H12B    1.555   1.555

PLAT_736  Alert C H...A   Calc     2.02(4), Rep   2.020(10) ....       4.00 su-Ratio
                     H7A  -O63     1.555   1.555

PLAT_736  Alert C H...A   Calc     2.03(3), Rep   2.030(10) ....       3.00 su-Ratio
                     H7B  -O53     1.555   1.555

PLAT_736  Alert C H...A   Calc     1.88(4), Rep   1.880(10) ....       4.00 su-Ratio
                     H11B -N42     1.555   1.556

PLAT_736  Alert C H...A   Calc     1.88(3), Rep   1.880(10) ....       3.00 su-Ratio
                     H12A -N41     1.555   1.545

PLAT_736  Alert C H...A   Calc     1.99(3), Rep   1.990(10) ....       3.00 su-Ratio
                     H12B -O62     1.555   1.656

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.94                 
         From the CIF: _reflns_number_total               6863                  
         Count of symmetry unique reflns         4494                           
         Completeness (_total/calc)            152.71%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2369                           
         Fraction of Friedel pairs measured     0.527                           
         Are heavy atom types Z>Si present          yes                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 19 Alert Level C = Please check

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