[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m184
[ doi:10.1107/S1600536813003322 ]

Bis{1-[(1H-benzimidazol-1-yl)methyl]-1H-imidazole-[kappa]N3}bis(3,5-dicarboxybenzoato-[kappa]2O1,O1')nickel(II) octahydrate

Y.-Y. Jia, J.-J. Fan, X.-G. Yin and W.-L. Zhao


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.664 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7 PLAT976_ALERT_2_C Negative Residual Density at 0.73A from O9 . -0.47 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.96A from O7 . -0.45 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 11 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- O1 .. 5.0 su PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 2 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 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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