[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m139-m140
[ doi:10.1107/S1600536813003036 ]

Chlorido[2,3,5,6-tetrakis(tert-butylsulfanylmethyl)phenyl-[kappa]3S2,C1,S6]palladium(II) dichloromethane monosolvate

E. Paz-Morales, S. Hernández-Ortega and D. Morales-Morales


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.62 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.6 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pd -- S1 .. 6.7 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pd -- S2 .. 7.8 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 33 A   3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 9.799 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.073 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 61 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 20 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 20 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT093_ALERT_1_G No su's on H-positions, refinement reported as . mixed PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C27 PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C27A PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 19 Perc. PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 291 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 58 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 1 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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