(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2004). E60, m519-m521 [ doi:10.1107/S1600536804007494 ]

Bis{1-[(E)-2-pyridinylmethylidene]semicarbazide}cobalt(II) diperchlorate monohydrate

J. Zhou, Z.-F. Chen, Y.-S. Tan, X.-W. Wang, Y.-H. Tan, H. Liang and Y. Zhang

Key indicators

Single-crystal X-ray study
T = 193 K
Mean (C-C) = 0.005 Å
R factor = 0.051
wR factor = 0.105
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O1W    -   H1W1   ...          ?       
PLAT731_ALERT_1_B Bond    Calc     0.85(5), Rep   0.848(10) ......       5.00 su-Rat
              O1W  -H1W2    1.555   1.555                                       
PLAT735_ALERT_1_B D-H     Calc     0.85(5), Rep   0.848(10) ......       5.00 su-Rat
              O1W  -H2#     1.555   1.555                                       

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 ....        Cl1     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl2     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4B    ..  O4      ..       2.61 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8B    ..  O5      ..       2.65 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT731_ALERT_1_C Bond    Calc     0.84(4), Rep   0.846(10) ......       4.00 su-Rat
              O1W  -H1W1    1.555   1.555                                       
PLAT732_ALERT_1_C Angle   Calc      111(6), Rep   110.9(18) ......       3.33 su-Rat
              H1W1 -O1W  -H1W2    1.555   1.555   1.555                         
PLAT736_ALERT_1_C H...A   Calc     2.22(5), Rep   2.221(19) ......       2.63 su-Rat
              H2#  -O4      1.555   2.677                                       

   0 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
   9 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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion