(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m186-m188 [ doi:10.1107/S1600536802005925 ]

Hexakis(imidazole-N)cobalt(II) 1,4-benzenedicarboxylate tetrahydrate

M.-L. Tong, W. Li, X.-M. Chen and S. W. Ng

Online 12 April 2002

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R factor = 0.058
wR factor = 0.179
Data-to-parameter ratio = 18.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_731  Alert B Bond    Calc     0.84(6), Rep   0.850(10) ....       6.00 s.u-Ratio
                     O1W  -H1W2    1.555   1.555

PLAT_735  Alert B D-H     Calc     0.84(6), Rep   0.850(10) ....       6.00 s.u-Ratio
                     O1W  -H1W2    1.555   1.555

PLAT_736  Alert B H...A   Calc     2.04(6), Rep   2.030(10) ....       6.00 s.u-Ratio
                     H1W2 -O2      1.555   2.465


 Alert Level C:



PLAT_369  Alert C Long   C(sp2)-C(sp2) Bond  C(10)  -   C(11)  =       1.53 Ang.

PLAT_731  Alert C Bond    Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O1W  -H1W1    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.85(3), Rep   0.850(10) ....       3.00 s.u-Ratio
                     O2W  -H2W1    1.555   1.555

PLAT_731  Alert C Bond    Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O2W  -H2W2    1.555   1.555

PLAT_732  Alert C Angle   Calc      111(5), Rep      111(2) ....       2.50 s.u-Ratio
                     H1W1 -O1W  -H1W2    1.555   1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O1W  -H1W1    1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(4), Rep   0.850(10) ....       4.00 s.u-Ratio
                     O2W  -H2W2    1.555   1.555

PLAT_735  Alert C D-H     Calc     0.85(3), Rep   0.850(10) ....       3.00 s.u-Ratio
                     O2W  -H2W1    1.555   1.555

PLAT_736  Alert C H...A   Calc     2.20(4), Rep   2.200(10) ....       4.00 s.u-Ratio
                     H2W2 -O2      1.555   1.555

PLAT_736  Alert C H...A   Calc     1.91(4), Rep   1.910(10) ....       4.00 s.u-Ratio
                     H2W1 -O2      1.555   2.465


 0 Alert Level A = Potentially serious problem

 3 Alert Level B = Potential problem

 10 Alert Level C = Please check