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Acta Cryst. (2013). E69, m326-m327
[ doi:10.1107/S1600536813012695 ]

catena-Poly[[manganese(III)-bis{[mu]-2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato-[kappa]3O1,N:O2;[kappa]3O2:N,O1}] iodide]

S. R. Petrusenko, O. M. Stetsyuk and I. V. Omelchenko


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 100 %Fit PLAT230_ALERT_2_B Hirshfeld Test Diff for O2 -- C3 .. 8.0 su PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O4 PLAT420_ALERT_2_B D-H Without Acceptor O6 - H6 ... ? PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 38 %
Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.590 From the CIF: _refine_ls_abs_structure_Flack_su 0.030 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 44 % PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.27 PLAT230_ALERT_2_C Hirshfeld Test Diff for O4 -- C11 .. 6.3 su PLAT234_ALERT_4_C Large Hirshfeld Difference N2 -- C15 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N2 -- C20 .. 0.17 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0171 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 11.083 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.328 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.119 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 16
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT112_ALERT_2_G ADDSYM Detects Additional (Pseudo) Symm. Elem... b PLAT113_ALERT_2_G ADDSYM Suggests Possible Pseudo/New Space-group. Pbca PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mn1 -- N1 .. 5.4 su PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 % PLAT335_ALERT_2_G Check Large C6 Ring C-C Range C9 -C14 0.17 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 O3 -MN1 -O1 -C2 10.00 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 N2 -MN1 -N1 -C7 96.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 13 N2 -MN1 -N1 -C17 -89.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 18 N1 -MN1 -N2 -C15 86.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 23 N1 -MN1 -N2 -C20 -97.00 30.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 32 O1 -MN1 -O3 -C10 9.00 0.00 1.555 1.555 1.555 1.555 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 5 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 11 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 11 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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