[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1390-m1391
[ doi:10.1107/S1600536812043036 ]

cis-(2,2'-Bipyridine-[kappa]2N,N')bis(isonicotinamide-[kappa]N1)palladium(II) bis(hexafluoridophosphate)

R. A. Adrian, B. Quintela, D. R. Powell, S. W. Ng and E. R. T. Tiekink


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.97 PLAT234_ALERT_4_C Large Hirshfeld Difference P1 -- F1' .. 0.19 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C4 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C10 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C11 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P2 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0106 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.956 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 17 PLAT976_ALERT_2_C Negative Residual Density at 0.76A from N4 . -0.40 eA-3
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 24 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 9.90 PLAT231_ALERT_4_G Hirshfeld Test (Solvent) P1 -- F6' .. 5.5 su PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 86 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 144 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 53
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 15 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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