[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o654-o655
[ doi:10.1107/S1600536813008301 ]

1,3-Diiodoazulene-2-carbonitrile

S. Förster, W. Seichter and E. Weber


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.334 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 14 PLAT975_ALERT_2_C Positive Residual Density at 0.96A from N1 . 0.46 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2 - C11 ... 1.42 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 29 C1 -C2 -C11 -N1 -55.00 15.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 30 C3 -C2 -C11 -N1 123.00 15.00 1.555 1.555 1.555 1.555 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 68 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 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 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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