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[Contents scheme]

Acta Cryst. (2013). E69, m548
[ doi:10.1107/S1600536813025191 ]

Bis((E)-2-{3-[4-(1H-imidazol-1-yl-[kappa]N3)styryl]-5,5-dimethylcyclohex-2-enylidene}malononitrile)diiodidomercury(II)

W.-G. Xi, Z.-C. Wu and H.-P. Zhou


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent N Ueq(max)/Ueq(min) ... 3.8 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Hg1 -- N4 .. 6.2 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0083 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H13 .. N2 .. 2.70 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H18 .. I1 .. 3.09 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 11 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.31 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.60 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Hg1 -- I1 .. 10.0 su PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C1 - C3 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2 - C3 ... 1.43 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 7 N1 -C2 -C3 -C4 11.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 8 N1 -C2 -C3 -C1 7.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9 N2 -C1 -C3 -C4 13.00 0.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10 N2 -C1 -C3 -C2 5.00 0.00 1.555 1.555 1.555 1.555 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 84 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 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 4 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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