Acta Cryst. (2012). E68, m416  [ doi:10.1107/S1600536812010021 ]

Bis(1H-benzimidazole-N³)bis[2-(naphthalen-1-yl)acetato-²O,O']nickel(II) monohydrate

F.-J. Yin, L.-J. Han, Z. Hong, X.-Y. Xu and L. Ren

Online 14 March 2012

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.006 Å
• R factor = 0.050
• wR factor = 0.122
• Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0062 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          1      
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            NI1 -C1  -C2  -C3    177.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         63     
            C2  -C1  -NI1 -N1   -116.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         66     
            C2  -C1  -NI1 -N1     -8.00  2.00   1.555   1.555   1.555   2.656  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         68     
            C2  -C1  -NI1 -O2    -19.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         71     
            C2  -C1  -NI1 -O2    142.00  2.00   1.555   1.555   1.555   2.656  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         73     
            C2  -C1  -NI1 -O4    162.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         76     
            C2  -C1  -NI1 -O4     89.00  2.00   1.555   1.555   1.555   2.656  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         79     
            C2  -C1  -NI1 -C1    112.00  2.00   1.555   1.555   1.555   2.656  
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          31 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  11 ALERT level G = General information/check it is not something unexpected

   0 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
   3 ALERT type 3 Indicator that the structure quality may be low
   8 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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