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Acta Cryst. (2013). E69, m137-m138
[ doi:10.1107/S1600536813003152 ]

Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-[kappa]S}bis(triphenylphosphane-[kappa]P)silver(I)

R. Venkatraman, K. D. Ruddock, H. S. Das, M. A. Hossain and F. R. Fronczek


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.8 Ratio PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 20
Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.382 From the CIF: _refine_ls_abs_structure_Flack_su 0.011 PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 1 PLAT213_ALERT_2_C Atom C144 has ADP max/min Ratio ..... 3.4 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.3 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 6.0 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C87 -- C88 .. 5.5 su PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 10 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ag1 1.18 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ag3 1.14 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ag4 1.05 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ag2 1.04 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 16 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT033_ALERT_4_G Flack x Value Deviates .gt. 2*sigma from Zero .. 0.382 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ag1 -- S1 .. 10.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ag1 -- P2 .. 5.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ag2 -- P4 .. 5.7 su PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 9 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 1294
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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