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[Contents scheme]

Acta Cryst. (2013). E69, m15
[ doi:10.1107/S1600536812047927 ]

[mu]-Azido-[kappa]2N1:N1-[mu]-chlorido-bis[(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-[kappa]2C1,N)palladium(II)] chloroform monosolvate

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


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 37 Perc.
Alert level C PLAT234_ALERT_4_C Large Hirshfeld Difference C4B -- C5B .. 0.25 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for Cl1 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9B PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N5 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1B PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C12 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0172 Ang PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -36.615 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.088 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -5.690 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.262 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.260 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 8 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Pd2 1.19 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Pd1 1.08 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.86A from N3 . -0.47 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? 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) Pd1 -- Cl1 .. 10.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd2 -- Cl1 .. 6.3 su PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 16 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 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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