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Acta Cryst. (2013). E69, m537
[ doi:10.1107/S1600536813024653 ]

Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-[kappa]N2)ethane]nickel(II) bis(trifluoromethanesulfonate) methanol disolvate

G. Lyubartseva, S. Parkin and U. P. Mallik


Key indicators

checkCIF/PLATON results

No syntax errors found




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: C28 H36 F6 N12 Ni1 O10 S2 Atom count from _chemical_formula_moiety:C24 H28 N12 Ni1 O22 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00080 Deg. PLAT231_ALERT_4_G Hirshfeld Test (Solvent) S1A -- C1A .. 5.0 su PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 0 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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