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Acta Cryst. (2013). E69, m410  [ doi:10.1107/S1600536813016747 ]

trans-Diamminedichloridobis(1H-imidazole-[kappa]N3)nickel(II)

P. S. Kannan, A. S. Ganeshraja, K. Rajkumar, K. Anbalagan and A. SubbiahPandi


Key indicators

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Alert level B PLAT415_ALERT_2_B Short Inter D-H..H-X H6 .. H8C .. 1.94 Ang.
Alert level C PLAT420_ALERT_2_C D-H Without Acceptor N8 - H8C ... ? Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.725 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT975_ALERT_2_C Positive Residual Density at 0.40A from N8 . 0.81 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 4 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 -- N8 .. 5.5 su PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 8 C4 -N3 -NI1 -N3 126.00 8.00 1.555 1.555 1.555 5.556 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9 C7 -N3 -NI1 -N3 -64.00 8.00 1.555 1.555 1.555 5.556 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 183
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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