[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m633-m634
[ doi:10.1107/S1600536813029693 ]

(2-{[4-(Chlorido­mercur­yl)phen­yl]imino­meth­yl}pyridine-[kappa]2N,N')di­iodido­mercury(II) dimethyl sulfoxide monosolvate

T. S. Basu Baul, I. Longkumer, S. W. Ng and E. R. T. Tiekink


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density 2.78 eA-3
Author Response: The large residual electron peaks were located near the Hg1 atom as mentioned in "_publ_section_exptl_refinement"
PLAT973_ALERT_2_B Large Calcd. Positive Residual Density on    Hg1       1.85 eA-3  
Author Response: The large residual electron peaks were located near the Hg1 atom as mentioned in "_publ_section_exptl_refinement"

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.03 PLAT234_ALERT_4_C Large Hirshfeld Difference C9 -- C10 .. 0.16 Ang. PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of S1 Check PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0182 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 Why ? PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.53 eA-3
Author Response: The large residual electron peaks were located near the Hg1 atom as mentioned in "_publ_section_exptl_refinement"
PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on    Hg2       1.35 eA-3  
Author Response: The large residual electron peaks were located near the Hg1 atom as mentioned in "_publ_section_exptl_refinement"

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 7.05 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Hg1 -- I1 .. 5.4 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Hg1 -- I2 .. 5.6 su
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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