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

Bis(1H-benzimidazole-[kappa]N3)bis[2-(naphthalen-1-yl)acetato-[kappa]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

checkCIF/PLATON results

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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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