[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m63-m64
[ doi:10.1107/S1600536812050775 ]

Tris(1,10-phenanthroline-[kappa]2N,N')nickel(II) hexaoxido-[mu]-peroxido-disulfate(VI) N,N-dimethylformamide disolvate monohydrate

M. A. Harvey, S. Suarez, F. Doctorovich and R. Baggio


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 25 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 3
Alert level C PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors of O6 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of S1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of S2 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N1E PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N1D PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0070 Ang PLAT715_ALERT_1_C D-H Unknown or Inconsistent Label .......... . PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.554 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 13 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 25 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00300 Deg. PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C3E" PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 33 Perc. PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C3D PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 37 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 246 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 1270
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 3 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 6 ALERT type 3 Indicator that the structure quality may be low 10 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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