(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3203-m3204 [ doi:10.1107/S1600536806045697 ]

trans-Bis{2-[(4-oxidobenzylideneamino)methyl]phenolato}cobalt(II) monohydrate

Z.-D. Liu

Online 3 November 2006

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.004 Å
R factor = 0.054
wR factor = 0.170
Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96      
PLAT731_ALERT_1_C Bond    Calc     0.83(3), Rep   0.831(10) ......       3.00 su-Ra
              O1W  -H1      1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.83(3), Rep   0.831(10) ......       3.00 su-Ra
              O1W  -H1      1.555   1.555                                      
PLAT736_ALERT_1_C H...A   Calc     1.94(3), Rep   1.934(11) ......       2.73 su-Ra
              H1   -O1      1.555   6.656                                      

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check