(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3504-m3505 [ doi:10.1107/S1600536806049932 ]

{2,2'-[Ethane-1,2-diylbis(nitrilomethylidene)]diphenolato}cobalt(II)

W.-B. Yuan, H.-Y. Wang, J.-F. Du, S.-W. Chen and Q. Zhang

Online 30 November 2006

Key indicators

Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.005 Å
R factor = 0.037
wR factor = 0.082
Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co     -   O2      ..       6.17 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co     -   N1      ..       6.03 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co     -   N2      ..       6.78 su   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            N2  -CO  -O1  -C1   -111.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          5     
            N1  -CO  -O2  -C16   -86.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          9     
            O2  -CO  -N1  -C7    -85.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         12     
            O2  -CO  -N1  -C8     92.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         14     
            O1  -CO  -N2  -C10   -77.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         17     
            O1  -CO  -N2  -C9     99.00  4.00   1.555   1.555   1.555   1.555  

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   7 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check