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[Contents scheme]

Acta Cryst. (2013). E69, m36
[ doi:10.1107/S1600536812049768 ]

(Benzyl isocyanide-[kappa]C1)chlorido(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-[kappa]2C1,N)palladium(II)

A. C. Mafud, M. A. R. Oliviera and M. T. P. Gambardella


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 7 Perc.
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C3 .. 5.2 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0099 Ang PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.232 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.63 mm PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 C1 -PD1 -N2 -C19 -90.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 4 C1 -PD1 -N2 -C18 151.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 7 C1 -PD1 -N2 -C17 32.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10 C2 -N1 -C1 -PD1 -56.00 14.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11 C9 -PD1 -C1 -N1 142.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 12 N2 -PD1 -C1 -N1 95.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 13 CL1 -PD1 -C1 -N1 -40.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 14 C1 -N1 -C2 -C3 -42.00 11.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 CL1 -PD1 -C9 -C16 35.00 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 ... # 30 CL1 -PD1 -C9 -C10 -144.00 1.80 1.555 1.555 1.555 1.555
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 12 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 11 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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