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Acta Cryst. (2013). E69, m273-m274
[ doi:10.1107/S1600536813010246 ]

Poly[[diaqua([mu]4-benzene-1,2,4,5-tetracarboxylato)tetrakis(1H-imidazole-[kappa]N3)dicopper(II)] N,N-dimethylformamide monosolvate]

X.-F. Zhou, H.-P. Xiao, Y.-J. Zhao and X.-H. Li


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 2 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 6 PLAT939_ALERT_3_B Large Value of Not (SHELXL) Weight Optimized S . 176.55
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.7 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O3 -- C4 .. 5.5 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N9 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C22 H22 Cu2 N8 O10 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.169 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.597 43 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 5 PLAT975_ALERT_2_C Positive Residual Density at 0.77A from O4 . 0.44 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.96A from O10 . -0.41 eA-3
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C25 H29 Cu2 N9 O11 Atom count from _chemical_formula_moiety: PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 8 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 5 O5 -CU1 -O1 -C1 -13.00 2.00 4.676 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 17 N5 -CU2 -N7 -C20 -105.70 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 N5 -CU2 -N7 -C22 79.80 1.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 33 N7 -CU2 -N5 -C17 -156.00 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 37 N7 -CU2 -N5 -C19 27.00 1.20 1.555 1.555 1.555 1.555 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.11 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu2 (II) 2.08 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 55 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 5 ALERT type 5 Informative message, check

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