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Acta Cryst. (2013). E69, o1281  [ doi:10.1107/S1600536813019302 ]

2-Cyano-1-methylpyridinium iodide

M. N. Kammer, L. V. Koplitz and J. T. Mague


Key indicators

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Alert level A PLAT924_ALERT_1_A The Reported and Calculated Rho(min) Differ by . 53.39 eA-3 PLAT926_ALERT_1_A Reported and Calculated R1 Differ by ......... -0.3730 PLAT927_ALERT_1_A Reported and Calculated wR2 Differ by ......... -0.9922 PLAT928_ALERT_1_A Reported and Calculated S value Differ by . -10.408
Alert level B Crystal system given = orthorhombic PLAT021_ALERT_4_B Ratio Unique / Expected Reflections too High ... 24.925 PLAT925_ALERT_1_B The Reported and Calculated Rho(max) Differ by . 2.20 eA-3
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.69 PLAT480_ALERT_4_C Long H...A H-Bond Reported H1B .. I1 .. 3.20 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H1C .. I1 .. 3.11 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H5 .. I1 .. 3.12 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2 - C7 ... 1.45 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
4 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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