[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m12-m13
[ doi:10.1107/S1600536812048611 ]

Tris(1,10-phenanthroline-[kappa]2N,N')iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) hemihydrate

Z. Setifi, F. Setifi, S. W. Ng, A. Oudahmane, M. El-Ghozzi and D. Avignant


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C43 -- C45 .. 7.5 su PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 13
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C19 -- C20 .. 5.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C29 -- C30 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C40 -- C42 .. 6.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C52 -- C53 .. 7.0 su PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.040 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 47
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 6 Perc. PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C39 - C40 ... 1.42 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C43 - C44 ... 1.42 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C43 - C45 ... 1.42 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C49 - C50 ... 1.42 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C49 - C51 ... 1.42 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C52 - C53 ... 1.42 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C52 - C54 ... 1.42 Ang. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 40 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 84
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 19 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: Setifi Zouaoui and Setifi Fatima : Organic synthesis of polynitrile anion and preparation of paper. Ng Seik Weng : Structure determination Oudahmane Abdelghani, El-Ghozzi Malika and Avignant Daniel: Preparation of the titled compound.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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